
 4-octyl-1,2,3,4-tetrahydro-9H-cyclopenta[b]quinolin-9-imine

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.2753   -1.7546    0.2680 C   0  0  0  0  0
    3.7374   -1.3364    0.2681 C   0  0  0  0  0
    3.8810    0.1807    0.1593 C   0  0  0  0  0
    5.3495    0.6103    0.1547 C   0  0  0  0  0
    5.4703    2.1307    0.0476 C   0  0  0  0  0
    6.9287    2.5914    0.0673 C   0  0  0  0  0
    7.0139    4.1141   -0.0461 C   0  0  0  0  0
    8.4556    4.6169    0.0774 C   0  0  0  0  0
    8.4914    6.0898    0.0373 N   0  0  0  0  0
    8.3751    6.8584    1.1880 C   0  0  0  0  0
    8.2969    8.1917    1.2327 C   0  0  0  0  0
    8.1932    8.7456    2.6040 C   0  0  0  0  0
    8.0144    7.4955    3.4637 C   0  0  0  0  0
    8.3445    6.2915    2.5771 C   0  0  0  0  0
    8.3310    8.9678   -0.0159 C   0  0  0  0  0
    8.2585   10.2621   -0.0472 N   0  0  0  0  0
    8.4554    8.1742   -1.2730 C   0  0  0  0  0
    8.5007    8.8654   -2.4955 C   0  0  0  0  0
    8.6087    8.1666   -3.6924 C   0  0  0  0  0
    8.6653    6.7787   -3.6698 C   0  0  0  0  0
    8.6189    6.0860   -2.4518 C   0  0  0  0  0
    8.5189    6.7575   -1.2190 C   0  0  0  0  0
    2.1915   -2.8427    0.3484 H   0  0  0  0  0
    1.7785   -1.4428   -0.6563 H   0  0  0  0  0
    1.7398   -1.3090    1.1125 H   0  0  0  0  0
    4.2508   -1.8210   -0.5704 H   0  0  0  0  0
    4.2133   -1.6909    1.1898 H   0  0  0  0  0
    3.3625    0.6581    0.9999 H   0  0  0  0  0
    3.3941    0.5301   -0.7594 H   0  0  0  0  0
    5.8704    0.1388   -0.6873 H   0  0  0  0  0
    5.8377    0.2644    1.0737 H   0  0  0  0  0
    4.9307    2.5977    0.8810 H   0  0  0  0  0
    4.9901    2.4720   -0.8778 H   0  0  0  0  0
    7.4777    2.1289   -0.7615 H   0  0  0  0  0
    7.4047    2.2611    0.9983 H   0  0  0  0  0
    6.3974    4.5719    0.7375 H   0  0  0  0  0
    6.5830    4.4325   -1.0030 H   0  0  0  0  0
    9.1034    4.1666   -0.6824 H   0  0  0  0  0
    8.8797    4.2606    1.0246 H   0  0  0  0  0
    7.3355    9.4163    2.7157 H   0  0  0  0  0
    9.1049    9.2866    2.8767 H   0  0  0  0  0
    6.9778    7.4274    3.8174 H   0  0  0  0  0
    8.6520    7.5249    4.3543 H   0  0  0  0  0
    9.3200    5.8700    2.8423 H   0  0  0  0  0
    7.5807    5.5168    2.6959 H   0  0  0  0  0
    8.1768   10.6486    0.8960 H   0  0  0  0  0
    8.4521    9.9519   -2.5105 H   0  0  0  0  0
    8.6462    8.7045   -4.6357 H   0  0  0  0  0
    8.7473    6.2257   -4.6025 H   0  0  0  0  0
    8.6636    5.0042   -2.5105 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  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 50  1  0  0  0
M  END

>  <Chemical Name>
4-octyl-1,2,3,4-tetrahydro-9H-cyclopenta[b]quinolin-9-imine

>  <PubChem CID>
1610853

>  <Formula>
C20H28N2

>  <Molecular Weight>
296.458000

>  <IUPAC Name>
4-octyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-imine

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31

>  <Isomeric SMILES>
CCCCCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C20H28N2/c1-2-3-4-5-6-9-15-22-18-13-8-7-11-16(18)20(21)17-12-10-14-19(17)22/h7-8,11,13,21H,2-6,9-10,12,14-15H2,1H3

>  <InChI Key>
ARMSHPQLBWTDEC-UHFFFAOYSA-N

