
 CHEMBL2165922

 36 38  0  0  0  0  0  0  0  0999 V2000
   -0.8571    1.5352    1.1609 C   0  0  0  0  0
    0.6481    1.2272    1.0867 C   0  0  0  0  0
    1.1819    1.6487   -0.2932 C   0  0  0  0  0
    0.4444    0.8794   -1.4027 C   0  0  0  0  0
   -1.0598    1.1888   -1.3171 C   0  0  0  0  0
   -1.6073    0.7707    0.0576 C   0  0  0  0  0
   -1.3834   -0.7376    0.2502 C   0  0  0  0  0
    0.1240   -1.0729    0.1736 C   0  0  0  0  0
    0.8667   -0.2847    1.2739 C   0  0  0  0  0
    0.6642   -0.6308   -1.2036 C   0  0  0  0  0
    0.3970   -2.5563    0.3581 C   0  0  0  0  0
   -0.5608   -3.4010    0.5548 N   0  0  0  0  0
   -0.0629   -4.7011    0.6944 N   0  0  0  0  0
   -1.0152   -5.5613    0.8606 C   0  0  0  0  0
   -2.3413   -5.2751    0.8766 N   0  0  0  0  0
   -0.8038   -6.8841    1.0416 N   0  0  0  0  0
   -1.2489    1.2520    2.1457 H   0  0  0  0  0
   -1.0252    2.6133    1.0492 H   0  0  0  0  0
    1.1773    1.7778    1.8724 H   0  0  0  0  0
    1.0461    2.7282   -0.4329 H   0  0  0  0  0
    2.2594    1.4528   -0.3540 H   0  0  0  0  0
    0.8292    1.1833   -2.3825 H   0  0  0  0  0
   -1.2321    2.2600   -1.4780 H   0  0  0  0  0
   -1.5972    0.6568   -2.1118 H   0  0  0  0  0
   -2.6782    0.9952    0.1139 H   0  0  0  0  0
   -1.9383   -1.2931   -0.5174 H   0  0  0  0  0
   -1.7962   -1.0505    1.2184 H   0  0  0  0  0
    0.5135   -0.5938    2.2665 H   0  0  0  0  0
    1.9413   -0.5099    1.2479 H   0  0  0  0  0
    1.7339   -0.8641   -1.2886 H   0  0  0  0  0
    0.1643   -1.1906   -2.0049 H   0  0  0  0  0
    1.4542   -2.8793    0.3161 H   0  0  0  0  0
   -2.4190   -4.2581    0.8603 H   0  0  0  0  0
   -2.7921   -5.6480    1.7017 H   0  0  0  0  0
    0.1527   -7.1323    0.8154 H   0  0  0  0  0
   -1.4682   -7.4462    0.5231 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2  9  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 10  1  0  0  0
  4 22  1  0  0  0
  5  6  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 10  1  0  0  0
  8 11  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2165922

>  <PubChem CID>
60168135

>  <Formula>
C12H20N4

>  <Molecular Weight>
220.320000

>  <IUPAC Name>
2-[(E)-1-adamantylmethylideneamino]guanidine

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)(C3)C=NN=C(N)N

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)(C3)/C=N/N=C(N)N

>  <InChI Std. ID>
InChI=1S/C12H20N4/c13-11(14)16-15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H4,13,14,16)/b15-7+

>  <InChI Key>
JQWIROUDWSKVDL-VIZOYTHASA-N

