Mrv1652306031609082D          

 12 13  0  0  0  0            999 V2000
   -0.6300    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300   -0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393    0.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    0.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045343

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)N1C2CCC1CC(O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3

> <INCHI_KEY>
YYDQYSQZIUSKFN-UHFFFAOYSA-N

> <FORMULA>
C10H19NO

> <MOLECULAR_WEIGHT>
169.268

> <EXACT_MASS>
169.146664236

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
19.954898284088976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

> <ALOGPS_LOGP>
1.74

> <JCHEM_LOGP>
0.8069436443333337

> <ALOGPS_LOGS>
0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.160755639375576

> <JCHEM_PKA_STRONGEST_BASIC>
10.25808141712135

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
49.7612

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
endo-8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol

> <CAS>
3423-25-4

$$$$