
 1H-Imidazole-5-ethanamine, N-hexyl-

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.8219    0.0638    0.0117 C   0  0  0  0  0
    2.3414    0.0618    0.0392 C   0  0  0  0  0
    2.9065    1.4812   -0.0158 C   0  0  0  0  0
    4.4357    1.4671    0.0056 C   0  0  0  0  0
    5.0130    2.8841   -0.0299 C   0  0  0  0  0
    6.5430    2.8510   -0.0136 C   0  0  0  0  0
    7.0744    4.2151   -0.0286 N   0  0  0  0  0
    8.5405    4.2017   -0.0040 C   0  0  0  0  0
    9.1026    5.6318   -0.0093 C   0  0  0  0  0
   10.5904    5.6332    0.0505 C   0  0  0  0  0
   11.5517    5.5970   -0.9366 C   0  0  0  0  0
   12.8106    5.6017   -0.3939 N   0  0  0  0  0
   12.6286    5.6483    0.9049 C   0  0  0  0  0
   11.3010    5.6732    1.2244 N   0  0  0  0  0
    0.4410   -0.9619    0.0560 H   0  0  0  0  0
    0.4463    0.5257   -0.9069 H   0  0  0  0  0
    0.4139    0.6142    0.8657 H   0  0  0  0  0
    2.7155   -0.5214   -0.8100 H   0  0  0  0  0
    2.6834   -0.4394    0.9525 H   0  0  0  0  0
    2.5313    2.0598    0.8370 H   0  0  0  0  0
    2.5562    1.9826   -0.9263 H   0  0  0  0  0
    4.8087    0.8974   -0.8542 H   0  0  0  0  0
    4.7847    0.9531    0.9096 H   0  0  0  0  0
    4.6420    3.4505    0.8338 H   0  0  0  0  0
    4.6621    3.4016   -0.9316 H   0  0  0  0  0
    6.9017    2.3005   -0.8911 H   0  0  0  0  0
    6.8862    2.3223    0.8838 H   0  0  0  0  0
    6.7171    4.7283    0.7765 H   0  0  0  0  0
    8.9226    3.6602   -0.8772 H   0  0  0  0  0
    8.8944    3.6749    0.8924 H   0  0  0  0  0
    8.7010    6.1963    0.8420 H   0  0  0  0  0
    8.7759    6.1552   -0.9169 H   0  0  0  0  0
   11.4039    5.5633   -2.0089 H   0  0  0  0  0
   13.4089    5.6664    1.6541 H   0  0  0  0  0
   10.9205    5.7119    2.1599 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
M  END

>  <Chemical Name>
1H-Imidazole-5-ethanamine, N-hexyl-

>  <PubChem CID>
382262

>  <Formula>
C11H21N3

>  <Molecular Weight>
195.310000

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

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCNCCC1=CN=CN1

>  <Isomeric SMILES>
CCCCCCNCCC1=CN=CN1

>  <InChI Std. ID>
InChI=1S/C11H21N3/c1-2-3-4-5-7-12-8-6-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3,(H,13,14)

>  <InChI Key>
MXLOXTMJEAHTMC-UHFFFAOYSA-N

