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Geometry for CH3CH(NH2)CH3 (2-Propanamine) 1A' CS

1910171554
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 INChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3653 0.0000   0.2037 0.3032 0.0000
N2 -1.3857 -0.1026 0.0000   -0.0572 -0.0851 -1.3857
H3 0.0668 1.4627 0.0000   0.8158 1.2140 0.0668
C4 0.6865 -0.1481 1.2566   0.9604 -0.8238 0.6865
C5 0.6865 -0.1481 -1.2566   -1.1257 0.5779 0.6865
H6 -1.8732 0.2595 -0.8101   -0.5277 0.6673 -1.8732
H7 -1.8732 0.2595 0.8101   0.8172 -0.2364 -1.8732
H8 0.6515 -1.2369 1.2796   0.3723 -1.7403 0.6515
H9 0.6515 -1.2369 -1.2796   -1.7520 -0.3129 0.6515
H10 1.7278 0.1722 1.2913   1.1678 -0.5772 1.7278
H11 1.7278 0.1722 -1.2913   -0.9757 0.8632 1.7278
H12 0.1917 0.2257 2.1546   1.9142 -1.0144 0.1917
H13 0.1917 0.2257 -2.1546   -1.6625 1.3890 0.1917
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4626 1.0994 1.5212 1.5212 2.0436 2.0436 2.1515 2.1515 2.1656 2.1656 2.1676 2.1676
N2 1.4626 2.1354 2.4239 2.4239 1.0124 1.0124 2.6598 2.6598 3.3819 3.3819 2.6904 2.6904
H3 1.0994 2.1354 2.1349 2.1349 2.4222 2.4222 3.0442 3.0442 2.4681 2.4681 2.4876 2.4876
C4 1.5212 2.4239 2.1349 2.5133 3.3150 2.6301 1.0895 2.7603 1.0900 2.7711 1.0913 3.4671
C5 1.5212 2.4239 2.1349 2.5133 2.6301 3.3150 2.7603 1.0895 2.7711 1.0900 3.4671 1.0913
H6 2.0436 1.0124 2.4222 3.3150 2.6301 1.6203 3.6028 2.9722 4.1702 3.6340 3.6131 2.4643
H7 2.0436 1.0124 2.4222 2.6301 3.3150 1.6203 2.9722 3.6028 3.6340 4.1702 2.4643 3.6131
H8 2.1515 2.6598 3.0442 1.0895 2.7603 3.6028 2.9722 2.5592 1.7732 3.1230 1.7652 3.7609
H9 2.1515 2.6598 3.0442 2.7603 1.0895 2.9722 3.6028 2.5592 3.1230 1.7732 3.7609 1.7652
H10 2.1656 3.3819 2.4681 1.0900 2.7711 4.1702 3.6340 1.7732 3.1230 2.5825 1.7628 3.7731
H11 2.1656 3.3819 2.4681 2.7711 1.0900 3.6340 4.1702 3.1230 1.7732 2.5825 3.7731 1.7628
H12 2.1676 2.6904 2.4876 1.0913 3.4671 3.6131 2.4643 1.7652 3.7609 1.7628 3.7731 4.3092
H13 2.1676 2.6904 2.4876 3.4671 1.0913 2.4643 3.6131 3.7609 1.7652 3.7731 1.7628 4.3092
Maximum atom distance is 4.3092Å between atoms H12 and H13.
picture of 2-Propanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 C4 108.639 N2 C1 C5 108.639
C4 C1 C5 111.399
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.983 C1 N2 H7 109.983
C1 C4 H8 109.890 C1 C4 H10 110.986
C1 C4 H12 111.073 C1 C5 H9 109.890
C1 C5 H11 110.986 C1 C5 H13 111.073
N2 C1 H3 112.138 H3 C1 C4 108.028
H3 C1 C5 108.028 H6 N2 H7 106.297
H8 C4 H10 108.886 H8 C4 H12 108.082
H9 C5 H11 108.886 H9 C5 H13 108.082
H10 C4 H12 107.835 H11 C5 H13 107.835

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