Mrv1572004191604342D          

  6  5  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
   -0.4125    0.7145    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015701

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3

> <INCHI_KEY>
VMOWKUTXPNPTEN-UHFFFAOYSA-N

> <FORMULA>
C5H13N

> <MOLECULAR_WEIGHT>
87.166

> <EXACT_MASS>
87.104799423

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
11.411856448328345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethyl(propan-2-yl)amine

> <ALOGPS_LOGP>
0.73

> <JCHEM_LOGP>
0.963552445

> <ALOGPS_LOGS>
0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.980653832181758

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
29.1555

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-dimethylisopropylamine

> <JCHEM_VEBER_RULE>
1

> <NAME>
N,N-Dimethylisopropylamine

> <CAS>
996-35-0

> <SYNONYMS>
Dimethylisopropylamine

$$$$