
 CHEMBL1744015

 49 51  0  0  0  0  0  0  0  0999 V2000
    7.6433   -1.2461    3.7906 C   0  0  0  0  0
    6.9612   -0.4718    2.6742 C   0  0  0  0  0
    7.3467    1.0069    2.7025 C   0  0  0  0  0
    6.6625    1.7830    1.5754 C   0  0  0  0  0
    7.0323    3.2690    1.6182 C   0  0  0  0  0
    6.3253    4.0437    0.4967 C   0  0  0  0  0
    6.6728    5.4761    0.4422 N   0  0  0  0  0
    6.0589    6.1301   -0.7259 C   0  0  0  0  0
    4.5379    6.2971   -0.6201 C   0  0  0  0  0
    4.0984    6.9594    0.7041 C   0  0  0  0  0
    4.2994    8.5053    0.6709 C   0  0  0  0  0
    3.0166    9.1191    0.0918 C   0  0  0  0  0
    1.9944    8.1126    0.5118 C   0  0  0  0  0
    0.6174    8.2691    0.5368 C   0  0  0  0  0
   -0.1712    7.1788    0.9096 C   0  0  0  0  0
    0.4213    5.9507    1.2357 C   0  0  0  0  0
    1.8082    5.7992    1.1990 C   0  0  0  0  0
    2.5910    6.8907    0.8432 C   0  0  0  0  0
    4.8335    6.3365    1.9057 C   0  0  0  0  0
    6.3380    6.2315    1.6572 C   0  0  0  0  0
    7.3609   -2.3027    3.7468 H   0  0  0  0  0
    7.3528   -0.8575    4.7721 H   0  0  0  0  0
    8.7328   -1.1818    3.7042 H   0  0  0  0  0
    5.8748   -0.5758    2.7767 H   0  0  0  0  0
    7.2398   -0.9108    1.7094 H   0  0  0  0  0
    8.4349    1.1063    2.6077 H   0  0  0  0  0
    7.0659    1.4400    3.6705 H   0  0  0  0  0
    5.5746    1.6743    1.6662 H   0  0  0  0  0
    6.9505    1.3573    0.6067 H   0  0  0  0  0
    8.1183    3.3841    1.5209 H   0  0  0  0  0
    6.7449    3.6635    2.5985 H   0  0  0  0  0
    5.2437    3.8923    0.5894 H   0  0  0  0  0
    6.6208    3.5837   -0.4556 H   0  0  0  0  0
    6.3035    5.5745   -1.6398 H   0  0  0  0  0
    6.5253    7.1144   -0.8590 H   0  0  0  0  0
    4.1847    6.8795   -1.4814 H   0  0  0  0  0
    4.0645    5.3117   -0.7208 H   0  0  0  0  0
    5.1836    8.8183    0.1061 H   0  0  0  0  0
    4.4294    8.8914    1.6921 H   0  0  0  0  0
    3.0614    9.1805   -1.0000 H   0  0  0  0  0
    2.8243   10.1094    0.5143 H   0  0  0  0  0
    0.1570    9.2148    0.2696 H   0  0  0  0  0
   -1.2524    7.2783    0.9387 H   0  0  0  0  0
   -0.2063    5.1063    1.5125 H   0  0  0  0  0
    2.2553    4.8389    1.4351 H   0  0  0  0  0
    4.6568    6.9251    2.8150 H   0  0  0  0  0
    4.4391    5.3383    2.1290 H   0  0  0  0  0
    6.7635    7.2402    1.5706 H   0  0  0  0  0
    6.8329    5.8036    2.5353 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 20  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 19  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1744015

>  <PubChem CID>
15163161

>  <Formula>
C19H29N

>  <Molecular Weight>
271.448000

>  <IUPAC Name>
1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCCN1CCC2(CCC3=CC=CC=C32)CC1

>  <Isomeric SMILES>
CCCCCCN1CCC2(CCC3=CC=CC=C32)CC1

>  <InChI Std. ID>
InChI=1S/C19H29N/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19/h5-6,8-9H,2-4,7,10-16H2,1H3

>  <InChI Key>
AJHIAKMQFRDJIB-UHFFFAOYSA-N

