
 Alpha-Dimethylhistane-alpha

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.0219   -0.3131    0.5685 C   0  0  0  0  0
    2.2094    0.3486   -0.1441 C   0  0  0  0  0
    2.2093    0.0016   -1.6573 C   0  0  0  0  0
    1.0706    0.5641   -2.4424 C   0  0  0  0  0
    0.3644    0.0891   -3.5259 C   0  0  0  0  0
   -0.5983    0.9855   -3.9153 N   0  0  0  0  0
   -0.4857    1.9975   -3.0855 C   0  0  0  0  0
    0.5133    1.7922   -2.1822 N   0  0  0  0  0
    2.1887    1.8002    0.1599 N   0  0  0  0  0
    3.4377    2.4579   -0.2183 C   0  0  0  0  0
    1.0851   -0.1640    1.6526 H   0  0  0  0  0
    1.0158   -1.3935    0.3872 H   0  0  0  0  0
    0.0611    0.0914    0.2326 H   0  0  0  0  0
    3.1171   -0.0860    0.2958 H   0  0  0  0  0
    2.2061   -1.0910   -1.7659 H   0  0  0  0  0
    3.1457    0.3446   -2.1143 H   0  0  0  0  0
    0.4986   -0.8492   -4.0484 H   0  0  0  0  0
   -1.0920    2.8929   -3.0892 H   0  0  0  0  0
    0.7930    2.4038   -1.4222 H   0  0  0  0  0
    2.0668    1.9137    1.1688 H   0  0  0  0  0
    3.5880    2.4508   -1.3017 H   0  0  0  0  0
    4.3015    1.9965    0.2708 H   0  0  0  0  0
    3.3979    3.5070    0.0923 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
M  END

>  <Chemical Name>
Alpha-Dimethylhistane-alpha

>  <PubChem CID>
53471735

>  <Formula>
C7H13N3

>  <Molecular Weight>
139.202000

>  <IUPAC Name>
1-(1H-imidazol-5-yl)-N-methylpropan-2-amine

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CN=CN1)NC

>  <Isomeric SMILES>
CC(CC1=CN=CN1)NC

>  <InChI Std. ID>
InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)

>  <InChI Key>
BQWFLRWCZCMTOU-UHFFFAOYSA-N

