
 CHEMBL202638

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.9448    0.1275    0.1381 C   0  0  0  0  0
    2.4729   -0.0575    0.2013 C   0  0  0  0  0
    2.8274   -0.6901    1.5580 C   0  0  0  0  0
    2.8943   -0.9954   -0.9412 C   0  0  0  0  0
    3.0623    1.2882    0.0559 N   0  0  0  0  0
    4.5233    1.3408    0.0280 C   0  0  0  0  0
    4.9923    2.7979   -0.0039 C   0  0  0  0  0
    6.5213    2.8746   -0.0085 C   0  0  0  0  0
    7.0074    4.3238   -0.0052 C   0  0  0  0  0
    8.5352    4.3992   -0.0097 C   0  0  0  0  0
    9.0007    5.8092    0.0059 C   0  0  0  0  0
    9.3083    6.6688    1.0377 C   0  0  0  0  0
    9.6819    7.8980    0.5588 N   0  0  0  0  0
    9.6053    7.7976   -0.7473 C   0  0  0  0  0
    9.2047    6.5492   -1.1325 N   0  0  0  0  0
    0.6338    0.5729   -0.8142 H   0  0  0  0  0
    0.5842    0.7764    0.9450 H   0  0  0  0  0
    0.4272   -0.8340    0.2358 H   0  0  0  0  0
    2.5775   -0.0189    2.3883 H   0  0  0  0  0
    3.8925   -0.9358    1.6324 H   0  0  0  0  0
    2.2732   -1.6232    1.7118 H   0  0  0  0  0
    2.6726   -0.5549   -1.9208 H   0  0  0  0  0
    2.3581   -1.9502   -0.8816 H   0  0  0  0  0
    3.9645   -1.2283   -0.9097 H   0  0  0  0  0
    2.7163    1.8891    0.8047 H   0  0  0  0  0
    4.9071    0.8311   -0.8623 H   0  0  0  0  0
    4.9515    0.8588    0.9121 H   0  0  0  0  0
    4.6041    3.3347    0.8706 H   0  0  0  0  0
    4.5963    3.2997   -0.8955 H   0  0  0  0  0
    6.9129    2.3564   -0.8925 H   0  0  0  0  0
    6.9179    2.3546    0.8727 H   0  0  0  0  0
    6.6127    4.8398    0.8796 H   0  0  0  0  0
    6.6058    4.8475   -0.8814 H   0  0  0  0  0
    8.9333    3.8851   -0.8931 H   0  0  0  0  0
    8.9361    3.8750    0.8672 H   0  0  0  0  0
    9.2751    6.4705    2.1022 H   0  0  0  0  0
    9.8241    8.5829   -1.4587 H   0  0  0  0  0
    9.0736    6.2376   -2.0844 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4 22  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
  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
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  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>
CHEMBL202638

>  <PubChem CID>
11499454

>  <Formula>
C12H23N3

>  <Molecular Weight>
209.337000

>  <IUPAC Name>
N-tert-butyl-5-(1H-imidazol-5-yl)pentan-1-amine

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(C)NCCCCCC1=CN=CN1

>  <Isomeric SMILES>
CC(C)(C)NCCCCCC1=CN=CN1

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

>  <InChI Key>
AFJWXHZYSMRBOR-UHFFFAOYSA-N

