
 CHEMBL3220637

 35 35  0  0  0  0  0  0  0  0999 V2000
    1.8419    3.3867    2.7793 C   0  0  0  0  0
    2.9280    2.7371    2.0098 C   0  0  0  0  0
    3.5060    3.1956    0.9208 N   0  0  0  0  0
    4.4319    2.2513    0.5653 C   0  0  0  0  0
    4.4367    1.2006    1.4576 C   0  0  0  0  0
    3.4680    1.5295    2.3747 N   0  0  0  0  0
    5.2071   -0.0717    1.5238 C   0  0  0  0  0
    6.6589    0.0882    1.0633 C   0  0  0  0  0
    7.4055   -1.2473    1.1317 C   0  0  0  0  0
    8.8409   -1.1552    0.6113 C   0  0  0  0  0
    9.6996   -0.5148    1.5983 N   0  0  0  0  0
   11.0662   -0.6112    1.6101 C   0  0  0  0  0
   11.8990    0.2975    1.9959 N   0  0  0  0  0
   11.3925    1.5600    2.5090 C   0  0  0  0  0
   11.6206   -1.7749    1.1620 N   0  0  0  0  0
   11.2466   -2.9576    1.9149 C   0  0  0  0  0
   10.9655   -3.9264    2.4845 N   0  0  0  0  0
    1.3339    4.1373    2.1659 H   0  0  0  0  0
    2.2483    3.8847    3.6646 H   0  0  0  0  0
    1.0965    2.6534    3.1026 H   0  0  0  0  0
    5.0432    2.3792   -0.3188 H   0  0  0  0  0
    3.1852    0.9773    3.1725 H   0  0  0  0  0
    4.7005   -0.8185    0.9002 H   0  0  0  0  0
    5.1967   -0.4550    2.5521 H   0  0  0  0  0
    7.1625    0.8382    1.6847 H   0  0  0  0  0
    6.6843    0.4598    0.0313 H   0  0  0  0  0
    6.8646   -1.9805    0.5204 H   0  0  0  0  0
    7.4019   -1.6242    2.1621 H   0  0  0  0  0
    8.8789   -0.5953   -0.3296 H   0  0  0  0  0
    9.1798   -2.1724    0.3943 H   0  0  0  0  0
    9.3569    0.3983    1.8706 H   0  0  0  0  0
   12.2383    2.1889    2.8055 H   0  0  0  0  0
   10.7703    1.4111    3.3979 H   0  0  0  0  0
   10.8292    2.1075    1.7465 H   0  0  0  0  0
   12.6279   -1.6581    1.1850 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 15  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3220637

>  <PubChem CID>
90667236

>  <Formula>
C11H18N6

>  <Molecular Weight>
234.307000

>  <IUPAC Name>
1-cyano-2-methyl-3-[4-(2-methyl-1H-imidazol-5-yl)butyl]guanidine

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC=C(N1)CCCCNC(=NC)NC#N

>  <Isomeric SMILES>
CC1=NC=C(N1)CCCCNC(=NC)NC#N

>  <InChI Std. ID>
InChI=1S/C11H18N6/c1-9-15-7-10(17-9)5-3-4-6-14-11(13-2)16-8-12/h7H,3-6H2,1-2H3,(H,15,17)(H2,13,14,16)

>  <InChI Key>
AEBYLHALALJXOL-UHFFFAOYSA-N

