Mrv1572004191602092D          

  9  8  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM007929

> <DATABASE_NAME>
chemdb

> <SMILES>
COC(C)(OC)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3

> <INCHI_KEY>
FBZVZUSVGKOWHG-UHFFFAOYSA-N

> <FORMULA>
C6H15NO2

> <MOLECULAR_WEIGHT>
133.191

> <EXACT_MASS>
133.110278727

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
14.972853647011918

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1,1-dimethoxyethyl)dimethylamine

> <ALOGPS_LOGP>
0.61

> <JCHEM_LOGP>
1.0597128956666664

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.012206999246652

> <JCHEM_POLAR_SURFACE_AREA>
21.700000000000003

> <JCHEM_REFRACTIVITY>
37.16400000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.60e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1,1-dimethoxyethyl)dimethylamine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dibenzo(e,l)pyrene

> <CAS>
192-51-8

> <SYNONYMS>
Dibenzo[<i>e</i>,<i>l</i>]pyrene

$$$$