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Geometry for C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-) 1A C1

1910171554
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 INChIKey=KDSNLYIMUZNERS-UHFFFAOYSA-N

PBEPBE/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -2.0123 -0.0231 -0.1899   2.0104 0.0124 -0.2102
H2 -2.8111 -0.6216 0.0352   2.8147 0.6062 0.0080
H3 -2.1430 0.8292 0.3620   2.1419 -0.8416 0.3387
C4 -0.7714 -0.6917 0.2321   0.7775 0.6870 0.2256
H5 -0.6528 -0.7689 1.3378   0.6705 0.7627 1.3326
H6 -0.8047 -1.7268 -0.1491   0.8126 1.7227 -0.1540
C7 1.7392 -0.7843 0.0285   -1.7345 0.7938 0.0475
H8 1.8887 -0.8038 1.1218   -1.8729 0.8119 1.1424
H9 1.6870 -1.8295 -0.3180   -1.6801 1.8393 -0.2975
H10 2.6382 -0.3309 -0.4181   -2.6405 0.3461 -0.3908
C11 0.5749 1.4605 0.1067   -0.5818 -1.4575 0.1097
H12 1.4775 1.9429 -0.3010   -1.4911 -1.9342 -0.2898
H13 -0.2896 2.0501 -0.2363   0.2760 -2.0512 -0.2431
H14 0.6307 1.5357 1.2075   -0.6269 -1.5346 1.2109
C15 0.4750 -0.0017 -0.3451   -0.4785 0.0049 -0.3403
H16 0.3588 -0.0122 -1.4447   -0.3732 0.0170 -1.4410
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 1.0232 1.0237 1.4714 2.1768 2.0887 3.8342 4.1891 4.1188 4.6663 2.9971 4.0071 2.6959 3.3716 2.4923 2.6827
H2 1.0232 1.6304 2.0504 2.5252 2.2981 4.5532 4.8272 4.6709 5.4759 3.9756 5.0082 3.6837 4.2278 3.3657 3.5510
H3 1.0237 1.6304 2.0521 2.3931 2.9301 4.2174 4.4157 4.7117 4.9814 2.8019 3.8455 2.2985 2.9845 2.8362 3.1985
C4 1.4714 2.0504 2.0521 1.1148 1.1036 2.5205 2.8072 2.7642 3.4897 2.5416 3.5046 2.8229 2.8068 1.5371 2.1332
H5 2.1768 2.5252 2.3931 1.1148 1.7753 2.7270 2.5509 3.0564 3.7558 2.8272 3.8181 3.2490 2.6411 2.1663 3.0559
H6 2.0887 2.2981 2.9301 1.1036 1.7753 2.7187 3.1179 2.4995 3.7249 3.4825 4.3241 3.8128 3.8137 2.1569 2.4437
C7 3.8342 4.5532 4.2174 2.5205 2.7270 2.7187 1.1037 1.1023 1.1015 2.5300 2.7595 3.4957 2.8286 1.5331 2.1615
H8 4.1891 4.8272 4.4157 2.8072 2.5509 3.1179 1.1037 1.7793 1.7767 2.8078 3.1205 3.8385 2.6576 2.1895 3.0910
H9 4.1188 4.6709 4.7117 2.7642 3.0564 2.4995 1.1023 1.7793 1.7779 3.4987 3.7782 4.3548 3.8428 2.1933 2.5172
H10 4.6663 5.4759 4.9814 3.4897 3.7558 3.7249 1.1015 1.7767 1.7779 2.7824 2.5555 3.7781 3.1869 2.1893 2.5202
C11 2.9971 3.9756 2.8019 2.5416 2.8272 3.4825 2.5300 2.8078 3.4987 2.7824 1.1017 1.1012 1.1048 1.5336 2.1500
H12 4.0071 5.0082 3.8455 3.5046 3.8181 4.3241 2.7595 3.1205 3.7782 2.5555 1.1017 1.7716 1.7772 2.1882 2.5263
H13 2.6959 3.6837 2.2985 2.8229 3.2490 3.8128 3.4957 3.8385 4.3548 3.7781 1.1012 1.7716 1.7878 2.1923 2.4766
H14 3.3716 4.2278 2.9845 2.8068 2.6411 3.8137 2.8286 2.6576 3.8428 3.1869 1.1048 1.7772 1.7878 2.1905 3.0829
C15 2.4923 3.3657 2.8362 1.5371 2.1663 2.1569 1.5331 2.1895 2.1933 2.1893 1.5336 2.1882 2.1923 2.1905 1.1058
H16 2.6827 3.5510 3.1985 2.1332 3.0559 2.4437 2.1615 3.0910 2.5172 2.5202 2.1500 2.5263 2.4766 3.0829 1.1058
Maximum atom distance is 5.4759Å between atoms H2 and H10.
picture of 1-Propanamine, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 C15 111.853 C4 C15 C7 110.363
C4 C15 C11 111.725 C7 C15 C11 111.177
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 113.930 N1 C4 H6 107.560
H2 N1 H3 105.594 H2 N1 C4 109.237
H3 N1 C4 109.350 C4 C15 H16 106.490
H5 C4 H6 106.311 H5 C4 C15 108.501
H6 C4 C15 108.410 C7 C15 H16 108.914
H8 C7 H9 107.522 H8 C7 H10 107.356
H8 C7 C15 111.228 H9 C7 H10 107.552
H9 C7 C15 111.617 H10 C7 C15 111.351
C11 C15 H16 107.994 H12 C11 H13 107.070
H12 C11 H14 107.310 H12 C11 C15 111.211
H13 C11 H14 108.274 H13 C11 C15 111.566
H14 C11 C15 111.205

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