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Geometry for CH3C(NH2)HCH2CH3 (2-Butanamine) 1A C1

1910171554
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3 INChIKey=BHRZNVHARXXAHW-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 0.5654 1.3826 -0.2400   -0.5400 1.3987 -0.2021
H2 -0.2212 1.9423 0.1009   0.2562 1.9344 0.1550
H3 1.4073 1.8471 0.1131   -1.3738 1.8685 0.1631
C4 1.7830 -0.7185 -0.0096   -1.7957 -0.6856 -0.0311
H5 1.9259 -0.7459 -1.1015   -1.9376 -0.6800 -1.1234
H6 2.6586 -0.2171 0.4349   -2.6627 -0.1808 0.4264
H7 1.7593 -1.7512 0.3708   -1.7912 -1.7287 0.3205
C8 0.4894 0.0242 0.3308   -0.4894 0.0239 0.3309
H9 0.3801 0.0326 1.4406   -0.3814 -0.0005 1.4406
C10 -0.7354 -0.7056 -0.2442   0.7228 -0.7118 -0.2630
H11 -0.6116 -0.7655 -1.3397   0.5995 -0.7390 -1.3599
H12 -0.7307 -1.7406 0.1400   0.6989 -1.7568 0.0923
C13 -2.0763 -0.0435 0.0896   2.0751 -0.0836 0.0902
H14 -2.9204 -0.6450 -0.2808   2.9086 -0.6898 -0.2960
H15 -2.1632 0.9512 -0.3761   2.1806 0.9218 -0.3476
H16 -2.2068 0.0748 1.1786   2.2062 0.0021 1.1822
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 H7 C8 H9 C10 H11 H12 C13 H14 H15 H16
N1 1.0239 1.0244 2.4393 2.6689 2.7195 3.4086 1.4754 2.1637 2.4602 2.6849 3.4028 3.0201 4.0328 2.7659 3.3776
H2 1.0239 1.6313 3.3331 3.6445 3.6149 4.1997 2.0584 2.4090 2.7194 3.0919 3.7182 2.7176 3.7584 2.2319 2.9312
H3 1.0244 1.6313 2.5960 2.9100 2.4352 3.6247 2.0526 2.4719 3.3519 3.6073 4.1766 3.9637 5.0095 3.7136 4.1639
C4 2.4393 3.3331 2.5960 1.1015 1.1026 1.1008 1.5300 2.1531 2.5294 2.7396 2.7177 3.9192 4.7118 4.3006 4.2380
H5 2.6689 3.6445 2.9100 1.1015 1.7824 1.7905 2.1698 3.0754 2.7963 2.5487 3.0966 4.2344 4.9163 4.4864 4.7908
H6 2.7195 3.6149 2.4352 1.1026 1.7824 1.7795 2.1850 2.5031 3.4956 3.7608 3.7277 4.7506 5.6409 5.0271 4.9306
H7 3.4086 4.1997 3.6247 1.1008 1.7905 1.7795 2.1832 2.4957 2.7739 3.0852 2.5007 4.2080 4.8525 4.8215 4.4404
C8 1.4754 2.0584 2.0526 1.5300 2.1698 2.1850 2.1832 1.1153 1.5373 2.1509 2.1540 2.5779 3.5282 2.8975 2.8269
H9 2.1637 2.4090 2.4719 2.1531 3.0754 2.5031 2.4957 1.1153 2.1512 3.0578 2.4637 2.8044 3.7835 3.2577 2.6004
C10 2.4602 2.7194 3.3519 2.5294 2.7963 3.4956 2.7739 1.5373 2.1512 1.1041 1.1040 1.5323 2.1861 2.1911 2.1906
H11 2.6849 3.0919 3.6073 2.7396 2.5487 3.7608 3.0852 2.1509 3.0578 1.1041 1.7761 2.1702 2.5429 2.5066 3.0972
H12 3.4028 3.7182 4.1766 2.7177 3.0966 3.7277 2.5007 2.1540 2.4637 1.1040 1.7761 2.1664 2.4843 3.0926 2.5600
C13 3.0201 2.7176 3.9637 3.9192 4.2344 4.7506 4.2080 2.5779 2.8044 1.5323 2.1702 2.1664 1.1007 1.1017 1.1032
H14 4.0328 3.7584 5.0095 4.7118 4.9163 5.6409 4.8525 3.5282 3.7835 2.1861 2.5429 2.4843 1.1007 1.7692 1.7768
H15 2.7659 2.2319 3.7136 4.3006 4.4864 5.0271 4.8215 2.8975 3.2577 2.1911 2.5066 3.0926 1.1017 1.7692 1.7852
H16 3.3776 2.9312 4.1639 4.2380 4.7908 4.9306 4.4404 2.8269 2.6004 2.1906 3.0972 2.5600 1.1032 1.7768 1.7852
Maximum atom distance is 5.6409Å between atoms H6 and H14.
picture of 2-Butanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C8 C4 108.500 N1 C8 C10 109.478
C4 C8 C10 111.098 C8 C10 C13 114.243
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C8 H9 112.529 H2 N1 H3 105.583
H2 N1 C8 109.568 H3 N1 C8 109.058
C4 C8 H9 107.935 H5 C4 H6 107.934
H5 C4 H7 108.788 H5 C4 C8 110.014
H6 C4 H7 107.729 H6 C4 C8 111.156
H7 C4 C8 111.117 C8 C10 H11 107.907
C8 C10 H12 108.152 H9 C8 C10 107.314
C10 C13 H14 111.199 C10 C13 H15 111.535
C10 C13 H16 111.403 H11 C10 H12 107.096
H11 C10 C13 109.739 H12 C10 C13 109.450
H14 C13 H15 106.900 H14 C13 H16 107.463
H15 C13 H16 108.126

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