Mrv1572004191603192D          

 17 17  0  0  0  0            999 V2000
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  1  0  0  0  0
 17 11  1  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011697

> <DATABASE_NAME>
chemdb

> <SMILES>
CO[Si](CCCNC1=CC=CC=C1)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3

> <INCHI_KEY>
KBJFYLLAMSZSOG-UHFFFAOYSA-N

> <FORMULA>
C12H21NO3Si

> <MOLECULAR_WEIGHT>
255.389

> <EXACT_MASS>
255.129070075

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
27.833457081085868

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[3-(trimethoxysilyl)propyl]aniline

> <ALOGPS_LOGP>
2.68

> <JCHEM_LOGP>
2.0961999999999996

> <ALOGPS_LOGS>
-2.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.845735094605191

> <JCHEM_POLAR_SURFACE_AREA>
39.72

> <JCHEM_REFRACTIVITY>
65.73800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[3-(trimethoxysilyl)propyl]aniline

> <JCHEM_VEBER_RULE>
1

> <NAME>
Benzenamine, N-[3-(trimethoxysilyl)propyl]-

> <CAS>
3068-76-6

> <SYNONYMS>
N-[3-(trimethoxysilyl)propyl]aniline; N-[3-(Trimethoxysilyl)propyl]aniline

$$$$