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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

HSEh1PBE/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6373 1.3785 -0.2368   -0.6124 1.3954 -0.2008
H2 -0.1414 1.9617 0.0540   0.1762 1.9568 0.1059
H3 1.4638 1.8178 0.1627   -1.4314 1.8387 0.2097
C4 1.7537 -0.7594 -0.0088   -1.7669 -0.7275 -0.0301
H5 1.8762 -0.8084 -1.0951   -1.8889 -0.7457 -1.1175
H6 2.6463 -0.2847 0.4154   -2.6514 -0.2484 0.4059
H7 1.6885 -1.7776 0.3874   -1.7203 -1.7569 0.3391
C8 0.4891 0.0286 0.3271   -0.4889 0.0287 0.3274
H9 0.3839 0.0422 1.4272   -0.3848 0.0113 1.4275
C10 -0.7495 -0.6761 -0.2480   0.7377 -0.6825 -0.2653
H11 -0.6309 -0.7334 -1.3359   0.6194 -0.7090 -1.3543
H12 -0.7542 -1.7014 0.1401   0.7236 -1.7177 0.0956
C13 -2.1003 -0.0237 0.0918   2.0994 -0.0635 0.0926
H14 -2.9332 -0.6068 -0.3131   2.9223 -0.6505 -0.3270
H15 -2.1813 0.9796 -0.3346   2.1988 0.9491 -0.3070
H16 -2.2365 0.0445 1.1770   2.2356 -0.0265 1.1794
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 H7 C8 H9 C10 H11 H12 C13 H14 H15 H16
N1 1.0155 1.0177 2.4225 2.6559 2.6884 3.3846 1.4704 2.1492 2.4788 2.6975 3.4006 3.0933 4.0860 2.8484 3.4695
H2 1.0155 1.6154 3.3166 3.6145 3.5984 4.1764 2.0516 2.4179 2.7238 3.0717 3.7150 2.7893 3.8113 2.2971 3.0540
H3 1.0177 1.6154 2.5991 2.9410 2.4254 3.6095 2.0441 2.4327 3.3596 3.6253 4.1599 4.0123 5.0437 3.7732 4.2268
C4 2.4225 3.3166 2.5991 1.0943 1.0964 1.0946 1.5274 2.1403 2.5160 2.7292 2.6831 3.9248 4.6992 4.3144 4.2396
H5 2.6559 3.6145 2.9410 1.0943 1.7746 1.7811 2.1558 3.0516 2.7621 2.5197 3.0400 4.2233 4.8766 4.4987 4.7754
H6 2.6884 3.5984 2.4254 1.0964 1.7746 1.7740 2.1817 2.4998 3.4821 3.7428 3.6941 4.7647 5.6360 5.0464 4.9528
H7 3.3846 4.1764 3.6095 1.0946 1.7811 1.7740 2.1691 2.4688 2.7498 3.0724 2.4563 4.1855 4.8188 4.8061 4.3988
C8 1.4704 2.0516 2.0441 1.5274 2.1558 2.1817 2.1691 1.1051 1.5367 2.1449 2.1386 2.6005 3.5391 2.9109 2.8551
H9 2.1492 2.4179 2.4327 2.1403 3.0516 2.4998 2.4688 1.1051 2.1463 3.0440 2.4478 2.8211 3.8017 3.2500 2.6323
C10 2.4788 2.7238 3.3596 2.5160 2.7621 3.4821 2.7498 1.5367 2.1463 1.0958 1.0963 1.5380 2.1857 2.1906 2.1820
H11 2.6975 3.0717 3.6253 2.7292 2.5197 3.7428 3.0724 2.1449 3.0440 1.0958 1.7693 2.1681 2.5224 2.5181 3.0818
H12 3.4006 3.7150 4.1599 2.6831 3.0400 3.6941 2.4563 2.1386 2.4478 1.0963 1.7693 2.1515 2.4802 3.0740 2.5141
C13 3.0933 2.7893 4.0123 3.9248 4.2233 4.7647 4.1855 2.6005 2.8211 1.5380 2.1681 2.1515 1.0944 1.0931 1.0959
H14 4.0860 3.8113 5.0437 4.6992 4.8766 5.6360 4.8188 3.5391 3.8017 2.1857 2.5224 2.4802 1.0944 1.7557 1.7692
H15 2.8484 2.2971 3.7732 4.3144 4.4987 5.0464 4.8061 2.9109 3.2500 2.1906 2.5181 3.0740 1.0931 1.7557 1.7783
H16 3.4695 3.0540 4.2268 4.2396 4.7754 4.9528 4.3988 2.8551 2.6323 2.1820 3.0818 2.5141 1.0959 1.7692 1.7783
Maximum atom distance is 5.6360Å 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 107.804 N1 C8 C10 111.019
C4 C8 C10 110.393 C8 C10 C13 115.509
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C8 H9 112.342 H2 N1 H3 105.213
H2 N1 C8 109.883 H3 N1 C8 109.123
C4 C8 H9 107.698 H5 C4 H6 108.207
H5 C4 H7 108.919 H5 C4 C8 109.517
H6 C4 H7 108.135 H6 C4 C8 111.445
H7 C4 C8 110.548 C8 C10 H11 107.958
C8 C10 H12 107.445 H9 C8 C10 107.545
C10 C13 H14 111.139 C10 C13 H15 111.608
C10 C13 H16 110.754 H11 C10 H12 107.632
H11 C10 C13 109.669 H12 C10 C13 108.348
H14 C13 H15 106.756 H14 C13 H16 107.750
H15 C13 H16 108.661

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