
 1H-Imidazole-5-ethanamine, N-(1-methylhexyl)-

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.7152    0.2695    0.0432 C   0  0  0  0  0
    2.2294    0.1524    0.1074 C   0  0  0  0  0
    2.9072    1.5116   -0.0690 C   0  0  0  0  0
    4.4321    1.3749   -0.0497 C   0  0  0  0  0
    5.1185    2.7270   -0.2761 C   0  0  0  0  0
    6.6627    2.6649   -0.2108 C   0  0  0  0  0
    7.2338    1.7428   -1.2938 C   0  0  0  0  0
    7.1611    4.0467   -0.3486 N   0  0  0  0  0
    8.6112    4.1716   -0.1652 C   0  0  0  0  0
    9.0373    5.6490   -0.1691 C   0  0  0  0  0
   10.5158    5.7908   -0.0554 C   0  0  0  0  0
   11.5109    5.8249   -1.0093 C   0  0  0  0  0
   12.7436    5.9569   -0.4258 N   0  0  0  0  0
   12.5127    6.0104    0.8650 C   0  0  0  0  0
   11.1780    5.9182    1.1399 N   0  0  0  0  0
    0.2536   -0.7146    0.1720 H   0  0  0  0  0
    0.3936    0.6704   -0.9235 H   0  0  0  0  0
    0.3380    0.9282    0.8318 H   0  0  0  0  0
    2.5673   -0.5369   -0.6753 H   0  0  0  0  0
    2.5175   -0.2846    1.0705 H   0  0  0  0  0
    2.5860    2.1911    0.7296 H   0  0  0  0  0
    2.5918    1.9575   -1.0202 H   0  0  0  0  0
    4.7256    0.6663   -0.8310 H   0  0  0  0  0
    4.7530    0.9555    0.9113 H   0  0  0  0  0
    4.7540    3.4287    0.4867 H   0  0  0  0  0
    4.8053    3.1306   -1.2483 H   0  0  0  0  0
    6.9484    2.2774    0.7754 H   0  0  0  0  0
    6.9649    2.0922   -2.2966 H   0  0  0  0  0
    6.8652    0.7190   -1.1810 H   0  0  0  0  0
    8.3243    1.6735   -1.2372 H   0  0  0  0  0
    6.6829    4.6416    0.3282 H   0  0  0  0  0
    9.1419    3.6583   -0.9741 H   0  0  0  0  0
    8.9143    3.7091    0.7825 H   0  0  0  0  0
    8.5494    6.1830    0.6561 H   0  0  0  0  0
    8.7031    6.1294   -1.0977 H   0  0  0  0  0
   11.4038    5.7567   -2.0848 H   0  0  0  0  0
   13.2614    6.1145    1.6387 H   0  0  0  0  0
   10.7634    5.9388    2.0614 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
M  END

>  <Chemical Name>
1H-Imidazole-5-ethanamine, N-(1-methylhexyl)-

>  <PubChem CID>
12311972

>  <Formula>
C12H23N3

>  <Molecular Weight>
209.337000

>  <IUPAC Name>
N-[2-(1H-imidazol-5-yl)ethyl]heptan-2-amine

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC(C)NCCC1=CN=CN1

>  <Isomeric SMILES>
CCCCCC(C)NCCC1=CN=CN1

>  <InChI Std. ID>
InChI=1S/C12H23N3/c1-3-4-5-6-11(2)14-8-7-12-9-13-10-15-12/h9-11,14H,3-8H2,1-2H3,(H,13,15)

>  <InChI Key>
NOTOMXGHDLEQBF-UHFFFAOYSA-N

