
 R-dimethindene

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.8118    0.4394    1.0498 C   0  0  0  0  0
    1.7935    0.4751   -0.1308 C   0  0  0  0  0
    1.1155    0.3054   -1.4861 C   0  0  0  0  0
    1.8311   -0.2675   -2.5407 C   0  0  0  0  0
    1.2128   -0.4242   -3.7772 C   0  0  0  0  0
   -0.0980    0.0018   -3.9390 C   0  0  0  0  0
   -0.7386    0.5672   -2.8497 C   0  0  0  0  0
   -0.1678    0.7249   -1.6352 N   0  0  0  0  0
    2.7287    1.6610   -0.0812 C   0  0  0  0  0
    4.0781    1.6506    0.0288 C   0  0  0  0  0
    4.6750    3.0412    0.0878 C   0  0  0  0  0
    3.4476    3.8866    0.0152 C   0  0  0  0  0
    3.3621    5.2707    0.0507 C   0  0  0  0  0
    2.0984    5.8530   -0.0340 C   0  0  0  0  0
    0.9551    5.0515   -0.1640 C   0  0  0  0  0
    1.0598    3.6561   -0.2053 C   0  0  0  0  0
    2.3121    3.0721   -0.1023 C   0  0  0  0  0
    5.0015    0.4687    0.0898 C   0  0  0  0  0
    5.3761    0.1211    1.5405 C   0  0  0  0  0
    6.2387   -1.0706    1.6607 N   0  0  0  0  0
    7.5658   -0.8465    1.0835 C   0  0  0  0  0
    6.3739   -1.4385    3.0741 C   0  0  0  0  0
    1.3460    0.5221    2.0029 H   0  0  0  0  0
    0.2614   -0.5086    1.0594 H   0  0  0  0  0
    0.0676    1.2397    1.0134 H   0  0  0  0  0
    2.3921   -0.4356    0.0073 H   0  0  0  0  0
    2.8577   -0.5909   -2.4016 H   0  0  0  0  0
    1.7527   -0.8721   -4.6062 H   0  0  0  0  0
   -0.6079   -0.1022   -4.8893 H   0  0  0  0  0
   -1.7630    0.9202   -2.9272 H   0  0  0  0  0
    5.3297    3.2246   -0.7694 H   0  0  0  0  0
    5.2104    3.2055    1.0275 H   0  0  0  0  0
    4.2501    5.8856    0.1436 H   0  0  0  0  0
    1.9967    6.9354   -0.0032 H   0  0  0  0  0
   -0.0239    5.5171   -0.2350 H   0  0  0  0  0
    0.1628    3.0565   -0.3213 H   0  0  0  0  0
    5.8934    0.7049   -0.5010 H   0  0  0  0  0
    4.5474   -0.4038   -0.3923 H   0  0  0  0  0
    4.4396   -0.0718    2.0830 H   0  0  0  0  0
    5.8480    0.9854    2.0272 H   0  0  0  0  0
    7.5075   -0.7169   -0.0017 H   0  0  0  0  0
    8.2098   -1.7185    1.2458 H   0  0  0  0  0
    8.0623    0.0302    1.5146 H   0  0  0  0  0
    5.3942   -1.6690    3.5081 H   0  0  0  0  0
    6.8353   -0.6396    3.6664 H   0  0  0  0  0
    6.9821   -2.3435    3.1814 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
R-dimethindene

>  <PubChem CID>
12963076

>  <Formula>
C20H24N2

>  <Molecular Weight>
292.426000

>  <IUPAC Name>
N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1

>  <InChI Key>
MVMQESMQSYOVGV-HNNXBMFYSA-N

