Mrv0541 05061310022D          

 37 36  0  0  0  0            999 V2000
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    7.4467    5.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1612   -7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -7.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -7.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    4.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -6.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -6.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    3.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -6.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -6.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    3.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7322   -5.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    2.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM007726

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3

> <INCHI_KEY>
SWZDQOUHBYYPJD-UHFFFAOYSA-N

> <FORMULA>
C36H75N

> <MOLECULAR_WEIGHT>
521.9874

> <EXACT_MASS>
521.589951405

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
77.24984269033381

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tridodecylamine

> <ALOGPS_LOGP>
10.51

> <JCHEM_LOGP>
14.831514469666667

> <ALOGPS_LOGS>
-7.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.823332938209292

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
172.03289999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
33

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.08e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tridodecylamine

> <JCHEM_VEBER_RULE>
0

> <NAME>
TRIDODECYL AMINE

> <CAS>
102-87-4

> <SYNONYMS>
N,N-Didodecyl-1-dodecanamine; Tridodecylamine; tridodecylamine

$$$$