Mrv1572004191603182D          

 16 13  0  0  0  0            999 V2000
    1.5395   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0661    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7934    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011640

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.Cl.CC(C)(\N=N\C(C)(C)C(N)=N)C(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H/b14-13+;;

> <INCHI_KEY>
LXEKPEMOWBOYRF-QDBORUFSSA-N

> <FORMULA>
C8H20Cl2N6

> <MOLECULAR_WEIGHT>
271.19

> <EXACT_MASS>
270.1126501

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
21.403594791445315

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(E)-2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
-0.319758566

> <ALOGPS_LOGS>
-3.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.987592265364391

> <JCHEM_POLAR_SURFACE_AREA>
124.46

> <JCHEM_REFRACTIVITY>
76.2096

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(E)-2-(1-carbamimidoyl-1-methylethyl)diazen-1-yl]-2-methylpropanimidamide dihydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Propanimidamide, 2,2'-azobis[2-methyl-, dihydrochloride

> <CAS>
2997-92-4

> <SYNONYMS>
2,2'-azobis[2-methylpropionamidine]

$$$$