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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

wB97X-D/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -2.0110 -0.0194 -0.1885   -2.0128 -0.0088 -0.1691
H2 -2.8098 -0.5983 0.0555   -2.8121 -0.5843 0.0812
H3 -2.1291 0.8451 0.3326   -2.1215 0.8550 0.3552
C4 -0.7753 -0.6836 0.2306   -0.7764 -0.6803 0.2364
H5 -0.6639 -0.7553 1.3290   -0.6548 -0.7553 1.3336
H6 -0.8165 -1.7125 -0.1465   -0.8265 -1.7080 -0.1428
C7 1.7284 -0.7931 0.0289   1.7246 -0.8019 0.0103
H8 1.8703 -0.8096 1.1171   1.8768 -0.8218 1.0970
H9 1.6652 -1.8315 -0.3163   1.6527 -1.8391 -0.3368
H10 2.6245 -0.3462 -0.4151   2.6186 -0.3584 -0.4413
C11 0.5903 1.4558 0.1078   0.5987 1.4525 0.1057
H12 1.5036 1.9150 -0.2860   1.5104 1.9081 -0.2958
H13 -0.2540 2.0570 -0.2447   -0.2459 2.0588 -0.2373
H14 0.6315 1.5225 1.2035   0.6507 1.5163 1.2011
C15 0.4721 -0.0023 -0.3459   0.4688 -0.0039 -0.3505
H16 0.3620 -0.0109 -1.4380   0.3480 -0.0092 -1.4414
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 1.0162 1.0163 1.4643 2.1586 2.0725 3.8249 4.1705 4.1006 4.6526 3.0052 4.0129 2.7206 3.3612 2.4882 2.6819
H2 1.0162 1.6198 2.0438 2.5003 2.2924 4.5424 4.8035 4.6566 5.4604 3.9727 5.0038 3.6976 4.2021 3.3596 3.5546
H3 1.0163 1.6198 2.0446 2.3878 2.9144 4.2020 4.3987 4.6885 4.9573 2.7962 3.8371 2.3060 2.9729 2.8187 3.1738
C4 1.4643 2.0438 2.0446 1.1064 1.0966 2.5142 2.7929 2.7518 3.4769 2.5411 3.4947 2.8299 2.7915 1.5338 2.1284
H5 2.1586 2.5003 2.3878 1.1064 1.7654 2.7230 2.5435 3.0479 3.7447 2.8202 3.7996 3.2487 2.6234 2.1594 3.0435
H6 2.0725 2.2924 2.9144 1.0966 1.7654 2.7116 3.1033 2.4903 3.7121 3.4759 4.3082 3.8125 3.7927 2.1506 2.4397
C7 3.8249 4.5424 4.2020 2.5142 2.7230 2.7116 1.0975 1.0961 1.0954 2.5218 2.7356 3.4825 2.8188 1.5310 2.1519
H8 4.1705 4.8035 4.3987 2.7929 2.5435 3.1033 1.0975 1.7723 1.7695 2.7909 3.0865 3.8189 2.6421 2.1787 3.0726
H9 4.1006 4.6566 4.6885 2.7518 3.0479 2.4903 1.0961 1.7723 1.7710 3.4845 3.7502 4.3369 3.8247 2.1841 2.5042
H10 4.6526 5.4604 4.9573 3.4769 3.7447 3.7121 1.0954 1.7695 1.7710 2.7674 2.5271 3.7537 3.1756 2.1808 2.5055
C11 3.0052 3.9727 2.7962 2.5411 2.8202 3.4759 2.5218 2.7909 3.4845 2.7674 1.0954 1.0948 1.0985 1.5317 2.1431
H12 4.0129 5.0038 3.8371 3.4947 3.7996 4.3082 2.7356 3.0865 3.7502 2.5271 1.0954 1.7638 1.7701 2.1780 2.5179
H13 2.7206 3.6976 2.3060 2.8299 3.2487 3.8125 3.4825 3.8189 4.3369 3.7537 1.0948 1.7638 1.7797 2.1859 2.4657
H14 3.3612 4.2021 2.9729 2.7915 2.6234 3.7927 2.8188 2.6421 3.8247 3.1756 1.0985 1.7701 1.7797 2.1798 3.0662
C15 2.4882 3.3596 2.8187 1.5338 2.1594 2.1506 1.5310 2.1787 2.1841 2.1808 1.5317 2.1780 2.1859 2.1798 1.0976
H16 2.6819 3.5546 3.1738 2.1284 3.0435 2.4397 2.1519 3.0726 2.5042 2.5055 2.1431 2.5179 2.4657 3.0662 1.0976
Maximum atom distance is 5.4604Å 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 112.167 C4 C15 C7 110.236
C4 C15 C11 111.978 C7 C15 C11 110.847
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 113.485 N1 C4 H6 107.187
H2 N1 H3 105.678 H2 N1 C4 109.645
H3 N1 C4 109.707 C4 C15 H16 106.791
H5 C4 H6 106.522 H5 C4 C15 108.668
H6 C4 C15 108.548 C7 C15 H16 108.776
H8 C7 H9 107.786 H8 C7 H10 107.594
H8 C7 C15 110.886 H9 C7 H10 107.828
H9 C7 C15 111.400 H10 C7 C15 111.179
C11 C15 H16 108.056 H12 C11 H13 107.278
H12 C11 H14 107.572 H12 C11 C15 110.908
H13 C11 H14 108.467 H13 C11 C15 111.582
H14 C11 C15 110.866

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