Mrv1652306031608342D          

 10  9  0  0  0  0            999 V2000
    8.7138   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044794

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)CCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C8H19NO/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3

> <INCHI_KEY>
QCXNXRUTKSIZND-UHFFFAOYSA-N

> <FORMULA>
C8H19NO

> <MOLECULAR_WEIGHT>
145.246

> <EXACT_MASS>
145.146664236

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.72713041898762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(dimethylamino)hexan-1-ol

> <ALOGPS_LOGP>
1.26

> <JCHEM_LOGP>
0.9665271936666663

> <ALOGPS_LOGS>
-0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394261130563

> <JCHEM_PKA_STRONGEST_BASIC>
9.790301906153184

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
44.9924

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(dimethylamino)hexan-1-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
6-dimethylaminohexan-1-ol

> <CAS>
1862-07-3

$$$$