
 CHEMBL379447

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.5250    1.8636    1.0368 C   0  0  0  0  0
    0.2926    1.2665    2.1710 C   0  0  0  0  0
    1.6394    1.0000    1.5206 C   0  0  0  0  0
    1.2557    0.4182    0.1574 C   0  0  0  0  0
   -0.0274    1.1737   -0.2338 C   0  0  0  0  0
    2.2822    0.5495   -0.8744 N   0  0  0  0  0
    3.4816   -0.2308   -0.5766 C   0  0  0  0  0
    4.5117   -0.0377   -1.6921 C   0  0  0  0  0
    5.7908   -0.8225   -1.3940 C   0  0  0  0  0
    6.8417   -0.6211   -2.4868 C   0  0  0  0  0
    8.0821   -1.3830   -2.1841 C   0  0  0  0  0
    8.4794   -2.6631   -2.5041 C   0  0  0  0  0
    9.7191   -2.9352   -1.9866 N   0  0  0  0  0
   10.0817   -1.8401   -1.3607 C   0  0  0  0  0
    9.1260   -0.8696   -1.4549 N   0  0  0  0  0
   -1.6002    1.7325    1.1879 H   0  0  0  0  0
   -0.3284    2.9402    0.9665 H   0  0  0  0  0
   -0.1596    0.3274    2.5115 H   0  0  0  0  0
    0.3699    1.9414    3.0285 H   0  0  0  0  0
    2.1949    1.9394    1.4104 H   0  0  0  0  0
    2.2483    0.3104    2.1130 H   0  0  0  0  0
    0.9946   -0.6424    0.2775 H   0  0  0  0  0
    0.1390    1.9193   -1.0203 H   0  0  0  0  0
   -0.7759    0.4697   -0.6161 H   0  0  0  0  0
    2.5294    1.5322   -0.9881 H   0  0  0  0  0
    3.2268   -1.2939   -0.4965 H   0  0  0  0  0
    3.9245    0.0861    0.3742 H   0  0  0  0  0
    4.7547    1.0276   -1.7952 H   0  0  0  0  0
    4.0917   -0.3687   -2.6502 H   0  0  0  0  0
    5.5522   -1.8897   -1.2993 H   0  0  0  0  0
    6.1982   -0.5037   -0.4257 H   0  0  0  0  0
    7.0775    0.4454   -2.5873 H   0  0  0  0  0
    6.4406   -0.9487   -3.4536 H   0  0  0  0  0
    7.9357   -3.4049   -3.0757 H   0  0  0  0  0
   11.0118   -1.6925   -0.8284 H   0  0  0  0  0
    9.1821    0.0557   -1.0519 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  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  6  1  0  0  0
  4 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL379447

>  <PubChem CID>
11615406

>  <Formula>
C12H21N3

>  <Molecular Weight>
207.321000

>  <IUPAC Name>
N-[4-(1H-imidazol-5-yl)butyl]cyclopentanamine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(C1)NCCCCC2=CN=CN2

>  <Isomeric SMILES>
C1CCC(C1)NCCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C12H21N3/c1-2-6-11(5-1)14-8-4-3-7-12-9-13-10-15-12/h9-11,14H,1-8H2,(H,13,15)

>  <InChI Key>
AVZAABIFUPTQRO-UHFFFAOYSA-N

