Mrv1572004221604202D          

 14 12  0  0  0  0            999 V2000
   -4.2868    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2904    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017913

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CCCCCCCCCCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H

> <INCHI_KEY>
TWFQJFPTTMIETC-UHFFFAOYSA-N

> <FORMULA>
C12H28ClN

> <MOLECULAR_WEIGHT>
221.81

> <EXACT_MASS>
221.1910276

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
26.326144460388605

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dodecan-1-amine hydrochloride

> <ALOGPS_LOGP>
5.27

> <JCHEM_LOGP>
4.254989469333333

> <ALOGPS_LOGS>
-5.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.205497374561691

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
60.6004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-dodecylamine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dodecylamine hydrochloride

> <CAS>
929-73-7

> <SYNONYMS>
dodecan-1-amine hydrochloride

$$$$