Mrv1652306031608052D          

  8  7  0  0  0  0            999 V2000
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    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
    1.2375   -0.7145    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    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
  6  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
M  CHG  1   6   1
M  END
> <DATABASE_ID>
CHEM044344

> <DATABASE_NAME>
chemdb

> <SMILES>
COC(OC)[NH+](C)C

> <INCHI_IDENTIFIER>
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3/p+1

> <INCHI_KEY>
ZSXGLVDWWRXATF-UHFFFAOYSA-O

> <FORMULA>
C5H14NO2

> <MOLECULAR_WEIGHT>
120.171

> <EXACT_MASS>
120.101905115

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
13.562541800325608

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(dimethoxymethyl)dimethylazanium

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
0.809061613333333

> <ALOGPS_LOGS>
-1.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.70661133815754

> <JCHEM_POLAR_SURFACE_AREA>
22.900000000000002

> <JCHEM_REFRACTIVITY>
43.33090000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(dimethoxymethyl)dimethylazanium

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1-dimethoxytrimethylamine

> <CAS>
4637-24-5

$$$$