Mrv1652306111722062D          

 11 10  0  0  0  0            999 V2000
    0.6085    0.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -0.4877    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -0.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002451

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CNC(C)CC1CCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C9H19N.ClH/c1-8(10-2)7-9-5-3-4-6-9;/h8-10H,3-7H2,1-2H3;1H

> <INCHI_KEY>
XGZPRABQSGUFBL-UHFFFAOYSA-N

> <FORMULA>
C9H20ClN

> <MOLECULAR_WEIGHT>
177.72

> <EXACT_MASS>
177.1284273

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
18.434350808936323

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1-cyclopentylpropan-2-yl)(methyl)amine hydrochloride

> <ALOGPS_LOGP>
2.86

> <JCHEM_LOGP>
2.260026091333333

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.614016211465419

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
44.9342

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.76e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sinos hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002451

> <NAME>
Cyclopentamine hydrochloride

> <DRUG_DRUGBANK_ID>
DB08999

> <DRUG_NAME>
Cyclopentamine

> <CAS_NUMBER>
538-02-3

> <UNII>
F551446KF3

$$$$