Mrv1652306031609202D          

 19 18  0  0  0  0            999 V2000
    2.8579   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.0921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  1  1  0  0  0  0
 16  2  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 17  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011852

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)CCCN(CCCN(C)C)CCCN(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3

> <INCHI_KEY>
DTKANQSCBACEPK-UHFFFAOYSA-N

> <FORMULA>
C15H36N4

> <MOLECULAR_WEIGHT>
272.481

> <EXACT_MASS>
272.293997175

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
36.1491405940853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3-{bis[3-(dimethylamino)propyl]amino}propyl)dimethylamine

> <ALOGPS_LOGP>
1.78

> <JCHEM_LOGP>
0.4259822496666664

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_BASIC>
10.10148311579467

> <JCHEM_POLAR_SURFACE_AREA>
12.96

> <JCHEM_REFRACTIVITY>
88.64159999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3-{bis[3-(dimethylamino)propyl]amino}propyl)dimethylamine

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethyl-

> <CAS>
33329-35-0

> <SYNONYMS>
N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine

$$$$