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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

MP2/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -2.0180 -0.0262 -0.1762   2.0163 0.0167 -0.1960
H2 -2.8242 -0.6504 -0.0909   2.8264 0.6367 -0.1169
H3 -2.1873 0.8094 0.3886   2.1869 -0.8213 0.3650
C4 -0.7566 -0.7125 0.2464   0.7625 0.7081 0.2409
H5 -0.6220 -0.7754 1.3420   0.6390 0.7686 1.3379
H6 -0.7947 -1.7379 -0.1410   0.8019 1.7343 -0.1441
C7 1.7673 -0.7657 0.0280   -1.7631 0.7743 0.0474
H8 1.8926 -0.7626 1.1180   -1.8777 0.7689 1.1386
H9 1.7235 -1.8065 -0.3149   -1.7175 1.8158 -0.2931
H10 2.6458 -0.2891 -0.4217   -2.6484 0.3033 -0.3949
C11 0.5508 1.4696 0.1067   -0.5570 -1.4672 0.1081
H12 1.4340 1.9623 -0.3160   -1.4467 -1.9544 -0.3072
H13 -0.3392 2.0153 -0.2223   0.3270 -2.0164 -0.2311
H14 0.6200 1.5152 1.2016   -0.6157 -1.5154 1.2035
C15 0.4765 -0.0041 -0.3583   -0.4800 0.0074 -0.3536
H16 0.3491 -0.0214 -1.4471   -0.3631 0.0271 -1.4436
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 C7 H8 H9 H10 C11 H12 H13 H14 C15 H16
N1 1.0232 1.0227 1.4969 2.1943 2.1042 3.8623 4.1845 4.1458 4.6777 2.9860 3.9862 2.6435 3.3516 2.5012 2.6867
H2 1.0232 1.6634 2.0959 2.6303 2.3031 4.5945 4.8706 4.6977 5.4919 3.9905 5.0009 3.6467 4.2689 3.3740 3.5078
H3 1.0227 1.6634 2.0936 2.4229 2.9510 4.2720 4.4327 4.7573 5.0222 2.8306 3.8651 2.2897 3.0067 2.8837 3.2393
C4 1.4969 2.0959 2.0936 1.1056 1.0968 2.5339 2.7893 2.7682 3.4931 2.5476 3.5028 2.7991 2.7875 1.5453 2.1373
H5 2.1943 2.6303 2.4229 1.1056 1.7764 2.7268 2.5246 3.0512 3.7451 2.8181 3.8041 3.2117 2.6094 2.1663 3.0481
H6 2.1042 2.3031 2.9510 1.0968 1.7764 2.7455 3.1237 2.5251 3.7437 3.4871 4.3231 3.7816 3.7929 2.1608 2.4414
C7 3.8623 4.5945 4.2720 2.5339 2.7268 2.7455 1.0972 1.0967 1.0960 2.5461 2.7698 3.4977 2.8100 1.5477 2.1775
H8 4.1845 4.8706 4.4327 2.7893 2.5246 3.1237 1.0972 1.7809 1.7783 2.7940 3.1133 3.8072 2.6105 2.1818 3.0841
H9 4.1458 4.6977 4.7573 2.7682 3.0512 2.5251 1.0967 1.7809 1.7789 3.5052 3.7800 4.3439 3.8146 2.1921 2.5214
H10 4.6777 5.4919 5.0222 3.4931 3.7451 3.7437 1.0960 1.7783 1.7789 2.7860 2.5591 3.7763 3.1614 2.1889 2.5295
C11 2.9860 3.9905 2.8306 2.5476 2.8181 3.4871 2.5461 2.7940 3.5052 2.7860 1.0961 1.0946 1.0980 1.5472 2.1630
H12 3.9862 5.0009 3.8651 3.5028 3.8041 4.3231 2.7698 3.1133 3.7800 2.5591 1.0961 1.7764 1.7792 2.1875 2.5282
H13 2.6435 3.6467 2.2897 2.7991 3.2117 3.7816 3.4977 3.8072 4.3439 3.7763 1.0946 1.7764 1.7883 2.1822 2.4743
H14 3.3516 4.2689 3.0067 2.7875 2.6094 3.7929 2.8100 2.6105 3.8146 3.1614 1.0980 1.7792 1.7883 2.1822 3.0741
C15 2.5012 3.3740 2.8837 1.5453 2.1663 2.1608 1.5477 2.1818 2.1921 2.1889 1.5472 2.1875 2.1822 2.1822 1.0964
H16 2.6867 3.5078 3.2393 2.1373 3.0481 2.4414 2.1775 3.0841 2.5214 2.5295 2.1630 2.5282 2.4743 3.0741 1.0964
Maximum atom distance is 5.4919Å 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 110.594 C4 C15 C7 110.015
C4 C15 C11 110.938 C7 C15 C11 110.712
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C4 H5 114.105 N1 C4 H6 107.436
H2 N1 H3 108.783 H2 N1 C4 111.143
H3 N1 C4 110.985 C4 C15 H16 106.775
H5 C4 H6 107.521 H5 C4 C15 108.464
H6 C4 C15 108.547 C7 C15 H16 109.697
H8 C7 H9 108.531 H8 C7 H10 108.355
H8 C7 C15 109.987 H9 C7 H10 108.448
H9 C7 C15 110.831 H10 C7 C15 110.618
C11 C15 H16 108.608 H12 C11 H13 108.368
H12 C11 H14 108.369 H12 C11 C15 110.545
H13 C11 H14 109.288 H13 C11 C15 110.212
H14 C11 C15 110.013

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