Mrv1572004191602572D          

 19 18  0  0  0  0            999 V2000
   -1.4116   -7.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7699   -6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4116   -6.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532   -6.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -6.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647   -6.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347   -6.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8763   -5.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6462   -6.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878   -5.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6994   -5.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1861   -6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693   -5.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560   -7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578   -6.0334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1109   -5.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0843   -7.9597    0.0000 O   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
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010359

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCN(CCO)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3

> <INCHI_KEY>
NKFNBVMJTSYZDV-UHFFFAOYSA-N

> <FORMULA>
C16H35NO2

> <MOLECULAR_WEIGHT>
273.461

> <EXACT_MASS>
273.266779371

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
36.28220589751356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[dodecyl(2-hydroxyethyl)amino]ethan-1-ol

> <ALOGPS_LOGP>
4.38

> <JCHEM_LOGP>
3.690413776333333

> <ALOGPS_LOGS>
-3.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.894519986593423

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.291932798209135

> <JCHEM_PKA_STRONGEST_BASIC>
9.232863186580904

> <JCHEM_POLAR_SURFACE_AREA>
43.7

> <JCHEM_REFRACTIVITY>
83.25429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[dodecyl(2-hydroxyethyl)amino]ethanol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ethanol, 2,2'-(dodecylimino)bis-

> <CAS>
1541-67-9

> <SYNONYMS>
2-[dodecyl(2-hydroxyethyl)amino]ethan-1-ol; Lauryldiethanolamine

$$$$