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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -2.0200 -0.0109 -0.1870   2.0182 -0.0006 -0.2055
H2 -2.8087 -0.5746 0.0488   2.8124 0.5582 0.0238
H3 -2.1504 0.8535 0.2926   2.1479 -0.8665 0.2715
C4 -0.7857 -0.6643 0.2336   0.7917 0.6593 0.2273
H5 -0.6961 -0.7199 1.3193   0.7123 0.7138 1.3139
H6 -0.8314 -1.6862 -0.1238   0.8400 1.6815 -0.1290
C7 1.7110 -0.8161 0.0259   -1.7059 0.8260 0.0428
H8 1.8597 -0.8397 1.1007   -1.8446 0.8489 1.1190
H9 1.6288 -1.8408 -0.3181   -1.6209 1.8508 -0.3004
H10 2.6035 -0.3913 -0.4176   -2.6049 0.4071 -0.3930
C11 0.6276 1.4516 0.1074   -0.6350 -1.4481 0.1111
H12 1.5396 1.8817 -0.2891   -1.5531 -1.8723 -0.2777
H13 -0.1910 2.0701 -0.2347   0.1768 -2.0709 -0.2395
H14 0.6784 1.5222 1.1904   -0.6763 -1.5201 1.1943
C15 0.4708 -0.0025 -0.3401   -0.4739 0.0058 -0.3357
H16 0.3660 -0.0106 -1.4205   -0.3789 0.0149 -1.4171
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 0.9977 0.9971 1.4585 2.1270 2.0551 3.8228 4.1710 4.0840 4.6448 3.0389 4.0328 2.7709 3.3955 2.4955 2.6860
H2 0.9977 1.5914 2.0334 2.4696 2.2750 4.5262 4.7928 4.6292 5.4354 3.9896 5.0056 3.7320 4.2262 3.3517 3.5434
H3 0.9971 1.5914 2.0419 2.3759 2.8920 4.2153 4.4273 4.6813 4.9652 2.8476 3.8745 2.3658 3.0423 2.8291 3.1644
C4 1.4585 2.0334 2.0419 1.0908 1.0836 2.5099 2.7895 2.7420 3.4620 2.5476 3.4875 2.8372 2.8000 1.5316 2.1189
H5 2.1270 2.4696 2.3759 1.0908 1.7420 2.7342 2.5679 3.0565 3.7432 2.8170 3.7886 3.2333 2.6331 2.1517 3.0228
H6 2.0551 2.2750 2.8920 1.0836 1.7420 2.6913 3.0754 2.4726 3.6826 3.4681 4.2871 3.8122 3.7816 2.1395 2.4337
C7 3.8228 4.5262 4.2153 2.5099 2.7342 2.6913 1.0853 1.0840 1.0834 2.5145 2.7216 3.4664 2.8089 1.5277 2.1331
H8 4.1710 4.7928 4.4273 2.7895 2.5679 3.0754 1.0853 1.7517 1.7492 2.7848 3.0725 3.8021 2.6424 2.1693 3.0456
H9 4.0840 4.6292 4.6813 2.7420 3.0565 2.4726 1.0840 1.7517 1.7496 3.4675 3.7237 4.3144 3.8064 2.1727 2.4819
H10 4.6448 5.4354 4.9652 3.4620 3.7432 3.6826 1.0834 1.7492 1.7496 2.7525 2.5130 3.7285 3.1548 2.1692 2.4814
C11 3.0389 3.9896 2.8476 2.5476 2.8170 3.4681 2.5145 2.7848 3.4675 2.7525 1.0835 1.0816 1.0864 1.5295 2.1310
H12 4.0328 5.0056 3.8745 3.4875 3.7886 4.2871 2.7216 3.0725 3.7237 2.5130 1.0835 1.7417 1.7492 2.1669 2.4977
H13 2.7709 3.7320 2.3658 2.8372 3.2333 3.8122 3.4664 3.8021 4.3144 3.7285 1.0816 1.7417 1.7570 2.1783 2.4589
H14 3.3955 4.2262 3.0423 2.8000 2.6331 3.7816 2.8089 2.6424 3.8064 3.1548 1.0864 1.7492 1.7570 2.1703 3.0437
C15 2.4955 3.3517 2.8291 1.5316 2.1517 2.1395 1.5277 2.1693 2.1727 2.1692 1.5295 2.1669 2.1783 2.1703 1.0856
H16 2.6860 3.5434 3.1644 2.1189 3.0228 2.4337 2.1331 3.0456 2.4819 2.4814 2.1310 2.4977 2.4589 3.0437 1.0856
Maximum atom distance is 5.4354Å 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 113.123 C4 C15 C7 110.252
C4 C15 C11 112.660 C7 C15 C11 110.671
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 112.299 N1 C4 H6 106.962
H2 N1 H3 105.831 H2 N1 C4 110.352
H3 N1 C4 111.121 C4 C15 H16 106.880
H5 C4 H6 106.478 H5 C4 C15 109.110
H6 C4 C15 108.571 C7 C15 H16 108.231
H8 C7 H9 107.701 H8 C7 H10 107.517
H8 C7 C15 111.106 H9 C7 H10 107.654
H9 C7 C15 111.461 H10 C7 C15 111.215
C11 C15 H16 107.952 H12 C11 H13 107.111
H12 C11 H14 107.432 H12 C11 C15 110.893
H13 C11 H14 108.273 H13 C11 C15 111.937
H14 C11 C15 110.997

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