Mrv1652304272019232D          

 10 10  0  0  0  0            999 V2000
   -1.7302    3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5701    1.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    1.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164    2.2028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006046

> <DATABASE_NAME>
CDB

> <SMILES>
CN(C)CCN1C=CN=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H13N3/c1-9(2)5-6-10-4-3-8-7-10/h3-4,7H,5-6H2,1-2H3

> <INCHI_KEY>
SVGDWQVJHFXSFG-UHFFFAOYSA-N

> <FORMULA>
C7H13N3

> <MOLECULAR_WEIGHT>
139.202

> <EXACT_MASS>
139.110947431

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
15.838764079485836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2-(1H-imidazol-1-yl)ethyl]dimethylamine

> <ALOGPS_LOGP>
-0.00

> <JCHEM_LOGP>
0.09709638100000016

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.942847557706493

> <JCHEM_POLAR_SURFACE_AREA>
21.060000000000002

> <JCHEM_REFRACTIVITY>
41.9286

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(imidazol-1-yl)ethyl]dimethylamine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006046

> <GENERIC_NAME>
Dimethylethanamine imidazole

$$$$