Mrv1572004251605472D          

 12 11  0  0  0  0            999 V2000
    3.3000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7302   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009149

> <DATABASE_NAME>
chemdb

> <SMILES>
NCCCNCCNCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2

> <INCHI_KEY>
RXFCIXRFAJRBSG-UHFFFAOYSA-N

> <FORMULA>
C8H22N4

> <MOLECULAR_WEIGHT>
174.292

> <EXACT_MASS>
174.184446724

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
22.451035082271943

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3-aminopropyl)({2-[(3-aminopropyl)amino]ethyl})amine

> <ALOGPS_LOGP>
-1.32

> <JCHEM_LOGP>
-2.0313300260000005

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_BASIC>
10.59467334959747

> <JCHEM_POLAR_SURFACE_AREA>
76.1

> <JCHEM_REFRACTIVITY>
53.048199999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.94e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,5,8,12-tetraazadodecane

> <JCHEM_VEBER_RULE>
0

> <NAME>
N,N'-Bis(gamma-aminopropyl)diaminoethane

> <CAS>
10563-26-5

$$$$