Mrv1533004171510222D          

 18 18  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM064625

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN1CN(CCCC)CN(CCCC)C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3

> <INCHI_KEY>
OIQDTXAPPNRLAS-UHFFFAOYSA-N

> <FORMULA>
C15H33N3

> <MOLECULAR_WEIGHT>
255.45

> <EXACT_MASS>
255.267448075

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
34.25675856722206

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3,5-tributyl-1,3,5-triazinane

> <ALOGPS_LOGP>
2.83

> <JCHEM_LOGP>
4.357933438

> <ALOGPS_LOGS>
-2.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.741630282843231

> <JCHEM_POLAR_SURFACE_AREA>
9.72

> <JCHEM_REFRACTIVITY>
80.1066

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.40e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,5-tributyl-1,3,5-triazinane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,3,5-Triazine, 1,3,5-tributylhexahydro-

> <CAS>
13036-83-4

> <SYNONYMS>
1,3,5-Triazine, 1,3,5-tributylhexahydro-; 1,3,5-Triazine,1,3,5-tributylhexahydro-; 1,3,5-Tributyl-1,3,5-triazinane; 1,3,5-Tributyl-[1,3,5]triazinane; 1,3,5-tributylhexahydro-1,3,5-triazine; 1,3,5-TRIBUTYLHEXAHYDRO-1,3,5-TRIAZINE 98+%; 1,3,5-Tributylhexahydro-s-triazine; 1H-imidazole, 2-ethyl-5-methyl-; 235-905-1; 2758942; Hexahydro-1,3,5-tri-n-butyl-S-triazine; Hexahydro-1,3,5-triethyl-s-triazine; s-Triazine, 1,3,5-tributylhexahydro-

$$$$