Mrv1652303102016522D          

 12 11  0  0  0  0            999 V2000
    6.6198  -10.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4448  -10.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573  -11.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823  -11.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0948  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074   -9.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2073  -11.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9198  -11.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323  -12.5504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324  -11.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1574  -11.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9199  -10.4070    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  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0096061

> <DATABASE_NAME>
bmdb

> <SMILES>
CN(C)CCCCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)

> <INCHI_KEY>
XXEWFEBMSGLYBY-UHFFFAOYSA-N

> <FORMULA>
C8H18N2O2

> <MOLECULAR_WEIGHT>
174.2407

> <EXACT_MASS>
174.13682783

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.01931653779815

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-6-(dimethylamino)hexanoic acid

> <ALOGPS_LOGP>
-1.60

> <JCHEM_LOGP>
-2.712961011238819

> <ALOGPS_LOGS>
-0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.842087440876693

> <JCHEM_PKA_STRONGEST_BASIC>
9.979156400775684

> <JCHEM_POLAR_SURFACE_AREA>
66.56

> <JCHEM_REFRACTIVITY>
47.8788

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-dimethyl-lysine

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0096061

> <GENERIC_NAME>
Ne,Ne dimethyllysine

$$$$