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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

B3LYP/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -2.0362 -0.0380 -0.2245   2.0347 0.0177 -0.2399
H2 -2.8336 -0.6037 0.0836   2.8403 0.5738 0.0642
H3 -2.1402 0.8653 0.2483   2.1329 -0.8885 0.2285
C4 -0.7801 -0.6895 0.2329   0.7890 0.6804 0.2295
H5 -0.6783 -0.7257 1.3414   0.6960 0.7134 1.3389
H6 -0.8094 -1.7362 -0.1215   0.8265 1.7281 -0.1210
C7 1.7443 -0.8031 0.0216   -1.7356 0.8212 0.0380
H8 1.8858 -0.8218 1.1184   -1.8685 0.8371 1.1359
H9 1.6847 -1.8498 -0.3282   -1.6677 1.8685 -0.3081
H10 2.6481 -0.3504 -0.4232   -2.6475 0.3797 -0.4016
C11 0.5989 1.4678 0.1054   -0.6134 -1.4619 0.1043
H12 1.5106 1.9363 -0.3061   -1.5331 -1.9193 -0.3020
H13 -0.2595 2.0786 -0.2250   0.2360 -2.0803 -0.2350
H14 0.6633 1.5270 1.2088   -0.6700 -1.5248 1.2080
C15 0.4740 -0.0040 -0.3629   -0.4767 0.0104 -0.3592
H16 0.3607 -0.0142 -1.4617   -0.3716 0.0237 -1.4588
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 1.0251 1.0249 1.4871 2.1837 2.0975 3.8650 4.2190 4.1399 4.6989 3.0529 4.0602 2.7635 3.4339 2.5143 2.6975
H2 1.0251 1.6328 2.0607 2.4984 2.3285 4.5826 4.8364 4.7050 5.5109 4.0092 5.0474 3.7305 4.2467 3.3911 3.5971
H3 1.0249 1.6328 2.0658 2.4214 2.9454 4.2337 4.4511 4.7259 4.9857 2.8083 3.8449 2.2877 3.0365 2.8219 3.1547
C4 1.4871 2.0607 2.0658 1.1137 1.1054 2.5357 2.8122 2.7814 3.5068 2.5635 3.5260 2.8536 2.8194 1.5484 2.1515
H5 2.1837 2.4984 2.4214 1.1137 1.7827 2.7598 2.5756 3.1040 3.7841 2.8232 3.8200 3.2394 2.6254 2.1802 3.0729
H6 2.0975 2.3285 2.9454 1.1054 1.7827 2.7225 3.1044 2.5052 3.7371 3.5072 4.3479 3.8556 3.8193 2.1693 2.4760
C7 3.8650 4.5826 4.2337 2.5357 2.7598 2.7225 1.1061 1.1051 1.1044 2.5447 2.7688 3.5186 2.8298 1.5492 2.1764
H8 4.2190 4.8364 4.4511 2.8122 2.5756 3.1044 1.1061 1.7859 1.7832 2.8151 3.1269 3.8496 2.6495 2.2037 3.1040
H9 4.1399 4.7050 4.7259 2.7814 3.1040 2.5052 1.1051 1.7859 1.7847 3.5175 3.7902 4.3844 3.8482 2.2077 2.5312
H10 4.6989 5.5109 4.9857 3.5068 3.7841 3.7371 1.1044 1.7832 1.7847 2.7900 2.5567 3.7939 3.1824 2.2023 2.5345
C11 3.0529 4.0092 2.8083 2.5635 2.8232 3.5072 2.5447 2.8151 3.5175 2.7900 1.1046 1.1042 1.1069 1.5495 2.1700
H12 4.0602 5.0474 3.8449 3.5260 3.8200 4.3479 2.7688 3.1269 3.7902 2.5567 1.1046 1.7777 1.7834 2.2006 2.5421
H13 2.7635 3.7305 2.2877 2.8536 3.2394 3.8556 3.5186 3.8496 4.3844 3.7939 1.1042 1.7777 1.7921 2.2123 2.5088
H14 3.4339 4.2467 3.0365 2.8194 2.6254 3.8193 2.8298 2.6495 3.8482 3.1824 1.1069 1.7834 1.7921 2.2023 3.0982
C15 2.5143 3.3911 2.8219 1.5484 2.1802 2.1693 1.5492 2.2037 2.2077 2.2023 1.5495 2.2006 2.2123 2.2023 1.1047
H16 2.6975 3.5971 3.1547 2.1515 3.0729 2.4760 2.1764 3.1040 2.5312 2.5345 2.1700 2.5421 2.5088 3.0982 1.1047
Maximum atom distance is 5.5109Å 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 111.831 C4 C15 C7 109.892
C4 C15 C11 111.686 C7 C15 C11 110.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 113.425 N1 C4 H6 107.086
H2 N1 H3 105.593 H2 N1 C4 108.838
H3 N1 C4 109.267 C4 C15 H16 107.188
H5 C4 H6 106.897 H5 C4 C15 108.865
H6 C4 C15 108.500 C7 C15 H16 109.039
H8 C7 H9 107.738 H8 C7 H10 107.554
H8 C7 C15 111.084 H9 C7 H10 107.750
H9 C7 C15 111.458 H10 C7 C15 111.079
C11 C15 H16 108.521 H12 C11 H13 107.190
H12 C11 H14 107.498 H12 C11 C15 110.908
H13 C11 H14 108.293 H13 C11 C15 111.862
H14 C11 C15 110.904

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