657
  Mrv0541 02231214522D          

 12 13  0  0  1  0            999 V2000
    2.5472   -1.1420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065   -0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6440    0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491    1.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7008   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108   -1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00657

> <DATABASE_NAME>
drugbank

> <SMILES>
CNC1(C)C2CCC(C2)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3

> <INCHI_KEY>
IMYZQPCYWPFTAG-UHFFFAOYSA-N

> <FORMULA>
C11H21N

> <MOLECULAR_WEIGHT>
167.2911

> <EXACT_MASS>
167.167399677

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9998669678565391

> <JCHEM_AVERAGE_POLARIZABILITY>
20.741172474953874

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

> <ALOGPS_LOGP>
3.13

> <JCHEM_LOGP>
2.3736397596666663

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.875985632386264

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
51.832499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00657

> <SECONDARY_ACCESSION_NUMBERS>
APRD00458

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Mecamylamine

> <SYNONYMS>
Mecamylamine

> <PRODUCTS>
Inversine; Mecamylamine Hydrochloride; Vecamyl

> <SALTS>
Mecamylamine hydrochloride

$$$$