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Geometry for C6H13N (cyclohexanamine) 1A C1

1910171554
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 INChIKey=PAFZNILMFXTMIY-UHFFFAOYSA-N

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.8711 0.0144 0.2887   -1.8689 0.0471 0.2989
C2 1.1770 -1.2472 -0.2160   -1.1993 -1.2274 -0.2065
C3 -0.3020 -1.2616 0.1593   0.2813 -1.2662 0.1608
C4 -1.0264 -0.0130 -0.3286   1.0242 -0.0314 -0.3341
C5 -0.3215 1.2466 0.1772   0.3437 1.2413 0.1723
C6 1.1563 1.2688 -0.2043   -1.1356 1.2879 -0.2011
N7 -2.4356 -0.1018 0.0345   2.4337 -0.1434 0.0214
H8 2.9137 0.0245 -0.0281   -2.9130 0.0743 -0.0123
H9 1.8768 0.0099 1.3808   -1.8688 0.0453 1.3910
H10 1.2719 -1.2983 -1.3027   -1.3011 -1.2795 -1.2925
H11 1.6709 -2.1345 0.1790   -1.7061 -2.1052 0.1934
H12 -0.8000 -2.1406 -0.2449   0.7619 -2.1546 -0.2440
H13 -0.3983 -1.3184 1.2474   0.3826 -1.3220 1.2485
H14 -0.9863 -0.0085 -1.4203   0.9781 -0.0288 -1.4257
H15 -0.4170 1.2838 1.2659   0.4459 1.2795 1.2604
H16 -0.8282 2.1318 -0.2108   0.8633 2.1169 -0.2206
H17 1.6351 2.1617 0.1966   -1.5969 2.1898 0.2002
H18 1.2465 1.3300 -1.2909   -1.2307 1.3481 -1.2874
H19 -2.9351 0.7049 -0.3123   2.9449 0.6538 -0.3301
H20 -2.5280 -0.0809 1.0409   2.5319 -0.1216 1.0273
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 N7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20
C1 1.5258 2.5233 2.9626 2.5175 1.5256 4.3157 1.0898 1.0921 2.1482 2.1609 3.4732 2.8010 3.3295 2.7932 3.4668 2.1622 2.1486 4.8926 4.4639
C2 1.5258 1.5259 2.5280 2.9358 2.5161 3.7981 2.1608 2.1494 1.0920 1.0896 2.1696 2.1513 2.7685 3.3381 3.9292 3.4643 2.7933 4.5529 4.0825
C3 2.5233 1.5259 1.5237 2.5083 2.9431 2.4316 3.4684 2.8029 2.1485 2.1574 1.0881 1.0938 2.1292 2.7779 3.4539 3.9336 3.3493 3.3200 2.6695
C4 2.9626 2.5280 1.5237 1.5294 2.5343 1.4579 3.9517 3.3691 2.8076 3.4689 2.1412 2.1406 1.0925 2.1437 2.1572 3.4769 2.8100 2.0393 2.0335
C5 2.5175 2.9358 2.5083 1.5294 1.5264 2.5116 3.4644 2.7947 3.3474 3.9244 3.4468 2.7803 2.1376 1.0935 1.0913 2.1602 2.1497 2.7137 2.7160
C6 1.5256 2.5161 2.9431 2.5343 1.5264 3.8519 2.1604 2.1486 2.7946 3.4632 3.9310 3.3493 2.7751 2.1534 2.1640 1.0896 1.0921 4.1315 4.1166
N7 4.3157 3.7981 2.4316 1.4579 2.5116 3.8519 5.3511 4.5191 4.1189 4.5843 2.6287 2.6649 2.0557 2.7406 2.7628 4.6605 4.1671 1.0102 1.0109
H8 1.0898 2.1608 3.4684 3.9517 3.4644 2.1604 5.3511 1.7494 2.4637 2.4998 4.3042 3.7947 4.1411 3.7887 4.2983 2.5005 2.4654 5.8951 5.5467
H9 1.0921 2.1494 2.8029 3.3691 2.7947 2.1486 4.5191 1.7494 3.0461 2.4668 3.7991 2.6379 4.0055 2.6264 3.7885 2.4680 3.0460 5.1482 4.4189
H10 2.1482 1.0920 2.1485 2.8076 3.3474 2.7946 4.1189 2.4637 3.0461 1.7475 2.4741 3.0485 2.6032 4.0147 4.1675 3.7883 2.6285 4.7636 4.6275
H11 2.1609 1.0896 2.1574 3.4689 3.9244 3.4632 4.5843 2.4998 2.4668 1.7475 2.5069 2.4676 3.7600 4.1503 4.9597 4.2964 3.7873 5.4331 4.7529
H12 3.4732 2.1696 1.0881 2.1412 3.4468 3.9310 2.6287 4.3042 3.7991 2.4741 2.5069 1.7505 2.4418 3.7624 4.2727 4.9633 4.1627 3.5581 2.9803
H13 2.8010 2.1513 1.0938 2.1406 2.7803 3.3493 2.6649 3.7947 2.6379 3.0485 2.4676 1.7505 3.0296 2.6023 3.7703 4.1654 4.0203 3.6002 2.4717
H14 3.3295 2.7685 2.1292 1.0925 2.1376 2.7751 2.0557 4.1411 4.0055 2.6032 3.7600 2.4418 3.0296 3.0348 2.4636 3.7678 2.6065 2.3526 2.9052
H15 2.7932 3.3381 2.7779 2.1437 1.0935 2.1534 2.7406 3.7887 2.6264 4.0147 4.1503 3.7624 2.6023 3.0348 1.7518 2.4750 3.0507 3.0276 2.5237
H16 3.4668 3.9292 3.4539 2.1572 1.0913 2.1640 2.7628 4.2983 3.7885 4.1675 4.9597 4.2727 3.7703 2.4636 1.7518 2.4969 2.4726 2.5467 3.0582
H17 2.1622 3.4643 3.9336 3.4769 2.1602 1.0896 4.6605 2.5005 2.4680 3.7883 4.2964 4.9633 4.1654 3.7678 2.4750 2.4969 1.7480 4.8237 4.8035
H18 2.1486 2.7933 3.3493 2.8100 2.1497 1.0921 4.1671 2.4654 3.0460 2.6285 3.7873 4.1627 4.0203 2.6065 3.0507 2.4726 1.7480 4.3398 4.6557
H19 4.8926 4.5529 3.3200 2.0393 2.7137 4.1315 1.0102 5.8951 5.1482 4.7636 5.4331 3.5581 3.6002 2.3526 3.0276 2.5467 4.8237 4.3398 1.6169
H20 4.4639 4.0825 2.6695 2.0335 2.7160 4.1166 1.0109 5.5467 4.4189 4.6275 4.7529 2.9803 2.4717 2.9052 2.5237 3.0582 4.8035 4.6557 1.6169
Maximum atom distance is 5.8951Å between atoms H8 and H19.
picture of cyclohexanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 111.550 C1 C6 C5 111.151
C2 C1 C6 111.089 C2 C3 C4 111.980
C3 C4 C5 110.480 C3 C4 N7 109.262
C4 C5 C6 112.058 C5 C4 N7 114.411
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 109.166 C1 C2 H11 110.313
C1 C6 H17 110.427 C1 C6 H18 109.207
C2 C1 H8 110.288 C2 C1 H9 109.258
C2 C3 H12 111.085 C2 C3 H13 109.301
C3 C2 H10 109.183 C3 C2 H11 110.028
C3 C4 H14 107.813 C4 C3 H12 108.994
C4 C3 H13 108.615 C4 C5 H15 108.482
C4 C5 H16 109.667 C4 N7 H19 110.110
C4 N7 H20 109.572 C5 C4 H14 108.067
C5 C6 H17 110.207 C5 C6 H18 109.236
C6 C1 H8 110.279 C6 C1 H9 109.208
C6 C5 H15 109.446 C6 C5 H16 110.415
N7 C4 H14 106.532 H8 C1 H9 106.605
H10 C2 H11 106.458 H12 C3 H13 106.696
H15 C5 H16 106.604 H17 C6 H18 106.491
H19 N7 H20 106.265

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.