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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

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.9984 -0.0237 -0.1881   1.9965 0.0155 -0.2079
H2 -2.7950 -0.6018 0.0393   2.7979 0.5894 0.0132
H3 -2.1250 0.8398 0.3200   2.1243 -0.8500 0.2966
C4 -0.7674 -0.6845 0.2348   0.7727 0.6805 0.2290
H5 -0.6589 -0.7463 1.3266   0.6753 0.7397 1.3221
H6 -0.8033 -1.7102 -0.1332   0.8095 1.7070 -0.1365
C7 1.7254 -0.7834 0.0266   -1.7216 0.7908 0.0458
H8 1.8713 -0.7966 1.1078   -1.8566 0.8018 1.1285
H9 1.6666 -1.8167 -0.3152   -1.6616 1.8249 -0.2937
H10 2.6114 -0.3342 -0.4208   -2.6139 0.3468 -0.3939
C11 0.5786 1.4501 0.1081   -0.5839 -1.4478 0.1099
H12 1.4795 1.9137 -0.2925   -1.4907 -1.9064 -0.2830
H13 -0.2705 2.0401 -0.2323   0.2592 -2.0406 -0.2406
H14 0.6294 1.5151 1.1970   -0.6241 -1.5156 1.1991
C15 0.4682 -0.0028 -0.3445   -0.4716 0.0058 -0.3398
H16 0.3548 -0.0129 -1.4301   -0.3689 0.0184 -1.4265
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 1.0102 1.0099 1.4597 2.1473 2.0677 3.8066 4.1534 4.0821 4.6261 2.9834 3.9825 2.6920 3.3454 2.4717 2.6608
H2 1.0102 1.6143 2.0387 2.4982 2.2859 4.5241 4.7910 4.6377 5.4325 3.9492 4.9708 3.6642 4.1890 3.3399 3.5252
H3 1.0099 1.6143 2.0429 2.3829 2.9076 4.1888 4.3896 4.6730 4.9356 2.7797 3.8106 2.2770 2.9684 2.8065 3.1526
C4 1.4597 2.0387 2.0429 1.0989 1.0903 2.5035 2.7816 2.7403 3.4596 2.5267 3.4752 2.8086 2.7776 1.5255 2.1171
H5 2.1473 2.4982 2.3829 1.0989 1.7553 2.7160 2.5401 3.0413 3.7307 2.8001 3.7776 3.2164 2.6058 2.1484 3.0274
H6 2.0677 2.2859 2.9076 1.0903 1.7553 2.6980 3.0867 2.4789 3.6927 3.4576 4.2859 3.7892 3.7715 2.1392 2.4298
C7 3.8066 4.5241 4.1888 2.5035 2.7160 2.6980 1.0911 1.0900 1.0894 2.5120 2.7270 3.4673 2.8025 1.5256 2.1434
H8 4.1534 4.7910 4.3896 2.7816 2.5401 3.0867 1.0911 1.7628 1.7602 2.7782 3.0758 3.7987 2.6257 2.1697 3.0586
H9 4.0821 4.6377 4.6730 2.7403 3.0413 2.4789 1.0900 1.7628 1.7611 3.4692 3.7352 4.3167 3.8031 2.1742 2.4935
H10 4.6261 5.4325 4.9356 3.4596 3.7307 3.6927 1.0894 1.7602 1.7611 2.7561 2.5201 3.7387 3.1569 2.1700 2.4928
C11 2.9834 3.9492 2.7797 2.5267 2.8001 3.4576 2.5120 2.7782 3.4692 2.7561 1.0895 1.0885 1.0920 1.5258 2.1346
H12 3.9825 4.9708 3.8106 3.4752 3.7776 4.2859 2.7270 3.0758 3.7352 2.5201 1.0895 1.7555 1.7607 2.1676 2.5042
H13 2.6920 3.6642 2.2770 2.8086 3.2164 3.7892 3.4673 3.7987 4.3167 3.7387 1.0885 1.7555 1.7687 2.1752 2.4577
H14 3.3454 4.1890 2.9684 2.7776 2.6058 3.7715 2.8025 2.6257 3.8031 3.1569 1.0920 1.7607 1.7687 2.1693 3.0515
C15 2.4717 3.3399 2.8065 1.5255 2.1484 2.1392 1.5256 2.1697 2.1742 2.1700 1.5258 2.1676 2.1752 2.1693 1.0916
H16 2.6608 3.5252 3.1526 2.1171 3.0274 2.4298 2.1434 3.0586 2.4935 2.4928 2.1346 2.5042 2.4577 3.0515 1.0916
Maximum atom distance is 5.4325Å 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 111.764 C4 C15 C7 110.277
C4 C15 C11 111.806 C7 C15 C11 110.822
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 113.366 N1 C4 H6 107.476
H2 N1 H3 106.093 H2 N1 C4 109.923
H3 N1 C4 110.303 C4 C15 H16 106.819
H5 C4 H6 106.599 H5 C4 C15 108.809
H6 C4 C15 108.592 C7 C15 H16 108.831
H8 C7 H9 107.840 H8 C7 H10 107.654
H8 C7 C15 110.938 H9 C7 H10 107.816
H9 C7 C15 111.366 H10 C7 C15 111.063
C11 C15 H16 108.138 H12 C11 H13 107.419
H12 C11 H14 107.629 H12 C11 C15 110.852
H13 C11 H14 108.413 H13 C11 C15 111.528
H14 C11 C15 110.843

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