Mrv1652304272018422D          

 14 15  0  0  0  0            999 V2000
   -3.5565   -0.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0045   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025   -2.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894   -2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975   -0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -2.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455   -1.5152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005657

> <DATABASE_NAME>
CDB

> <SMILES>
CCCN1CCCC1C1=CN=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2/c1-2-8-14-9-4-6-12(14)11-5-3-7-13-10-11/h3,5,7,10,12H,2,4,6,8-9H2,1H3

> <INCHI_KEY>
ISVARSJFNQPNRD-UHFFFAOYSA-N

> <FORMULA>
C12H18N2

> <MOLECULAR_WEIGHT>
190.29

> <EXACT_MASS>
190.146998588

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
22.454097151224644

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(1-propylpyrrolidin-2-yl)pyridine

> <ALOGPS_LOGP>
1.93

> <JCHEM_LOGP>
2.0418650423333338

> <ALOGPS_LOGS>
-1.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.141208837136123

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
58.927600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.83e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(1-propylpyrrolidin-2-yl)pyridine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005657

> <GENERIC_NAME>
N-Propylnornicotined

$$$$