Mrv1652306031608242D          

 14 15  0  0  1  0            999 V2000
    4.7079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204   -0.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632   -0.8383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  1  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
  8 13  1  6  0  0  0
 11 14  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM044590

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]1(C)CC2=C(C=C(C)C=C2)[C@]1([H])N

> <INCHI_IDENTIFIER>
InChI=1S/C11H15N/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11H,6,12H2,1-2H3/t8-,11+/m0/s1

> <INCHI_KEY>
NMRCYNVWDPJOAC-GZMMTYOYSA-N

> <FORMULA>
C11H15N

> <MOLECULAR_WEIGHT>
161.248

> <EXACT_MASS>
161.120449487

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.59743167428302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

> <ALOGPS_LOGP>
2.17

> <JCHEM_LOGP>
2.5216327089999995

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.62429616317578

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
51.625

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

> <CAS>
752984-24-0

$$$$