Mrv1652306031608072D          

 22 21  0  0  0  0            999 V2000
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    8.2124   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7835   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2191   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3546   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7901   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0757   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3533   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7822   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -3.1599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  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  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
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 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  3  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM014873

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCN(C)CCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3

> <INCHI_KEY>
ATBNMWWDBWBAHM-UHFFFAOYSA-N

> <FORMULA>
C21H45N

> <MOLECULAR_WEIGHT>
311.598

> <EXACT_MASS>
311.355200453

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
45.06689325119601

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(decyl)(methyl)amine

> <ALOGPS_LOGP>
8.62

> <JCHEM_LOGP>
8.172791475

> <ALOGPS_LOGS>
-7.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.267672648037092

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
102.94729999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(decyl)(methyl)amine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Di(decyl)methylamine

> <CAS>
7396-58-9

> <SYNONYMS>
N-methyldidecylamine

$$$$