Mrv0541 02231220412D          

  7  6  0  0  0  0            999 V2000
   10.9633  -14.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -15.1716    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.0322  -15.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8272  -15.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2963  -14.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2613  -14.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8623  -15.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  CHG  1   2   1
M  END
> <DATABASE_ID>
BMDB0006509

> <DATABASE_NAME>
bmdb

> <SMILES>
CCC[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H16N/c1-5-6-7(2,3)4/h5-6H2,1-4H3/q+1

> <INCHI_KEY>
GSBKRFGXEJLVMI-UHFFFAOYSA-N

> <FORMULA>
C6H16N

> <MOLECULAR_WEIGHT>
102.1979

> <EXACT_MASS>
102.128274517

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.628496689288198

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethyl(propyl)azanium

> <ALOGPS_LOGP>
-3.48

> <JCHEM_LOGP>
-3.092836801138412

> <ALOGPS_LOGS>
-4.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
45.1743

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nervonyl carnitine

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0006509

> <GENERIC_NAME>
Nervonyl carnitine

$$$$