
 CHEMBL158352

 44 44  0  0  0  0  0  0  0  0999 V2000
    0.0799    0.2185   -1.0796 C   0  0  0  0  0
   -0.2369    1.0544   -0.0302 C   0  0  0  0  0
   -0.0541    0.2841    1.0914 N   0  0  0  0  0
    0.3526   -0.9535    0.6822 C   0  0  0  0  0
    0.4431   -1.0226   -0.6255 N   0  0  0  0  0
   -0.6840    2.4716    0.0139 C   0  0  0  0  0
   -2.2096    2.5769   -0.0159 C   0  0  0  0  0
   -2.6684    4.0358    0.0168 C   0  0  0  0  0
   -4.1945    4.1373   -0.0043 C   0  0  0  0  0
   -4.6577    5.5948    0.0167 C   0  0  0  0  0
   -6.1842    5.6908    0.0098 C   0  0  0  0  0
   -6.6519    7.1470    0.0144 C   0  0  0  0  0
   -8.1787    7.2390    0.0208 C   0  0  0  0  0
   -8.6497    8.6942    0.0066 C   0  0  0  0  0
  -10.1771    8.7845    0.0227 C   0  0  0  0  0
  -10.6448   10.2384   -0.0068 C   0  0  0  0  0
  -12.1013   10.3021    0.0223 N   0  0  0  0  0
    0.0639    0.4447   -2.1382 H   0  0  0  0  0
   -0.1957    0.5729    2.0497 H   0  0  0  0  0
    0.5655   -1.7554    1.3759 H   0  0  0  0  0
   -0.2579    3.0114   -0.8407 H   0  0  0  0  0
   -0.2936    2.9547    0.9181 H   0  0  0  0  0
   -2.6363    2.0385    0.8401 H   0  0  0  0  0
   -2.5985    2.0906   -0.9198 H   0  0  0  0  0
   -2.2520    4.5713   -0.8451 H   0  0  0  0  0
   -2.2805    4.5234    0.9195 H   0  0  0  0  0
   -4.6091    3.6073    0.8618 H   0  0  0  0  0
   -4.5831    3.6421   -0.9025 H   0  0  0  0  0
   -4.2516    6.1217   -0.8553 H   0  0  0  0  0
   -4.2625    6.0940    0.9096 H   0  0  0  0  0
   -6.5882    5.1721    0.8877 H   0  0  0  0  0
   -6.5805    5.1815   -0.8772 H   0  0  0  0  0
   -6.2558    7.6624   -0.8689 H   0  0  0  0  0
   -6.2495    7.6602    0.8962 H   0  0  0  0  0
   -8.5729    6.7336    0.9109 H   0  0  0  0  0
   -8.5823    6.7146   -0.8539 H   0  0  0  0  0
   -8.2610    9.1967   -0.8875 H   0  0  0  0  0
   -8.2414    9.2216    0.8775 H   0  0  0  0  0
  -10.5625    8.2885    0.9225 H   0  0  0  0  0
  -10.5837    8.2454   -0.8422 H   0  0  0  0  0
  -10.2779   10.7363   -0.9111 H   0  0  0  0  0
  -10.2467   10.7805    0.8577 H   0  0  0  0  0
  -12.4826    9.8227   -0.7925 H   0  0  0  0  0
  -12.3988   11.2740   -0.0532 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL158352

>  <PubChem CID>
11333854

>  <Formula>
C14H27N3

>  <Molecular Weight>
237.391000

>  <IUPAC Name>
11-(1H-imidazol-5-yl)undecan-1-amine

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=C(NC=N1)CCCCCCCCCCCN

>  <Isomeric SMILES>
C1=C(NC=N1)CCCCCCCCCCCN

>  <InChI Std. ID>
InChI=1S/C14H27N3/c15-11-9-7-5-3-1-2-4-6-8-10-14-12-16-13-17-14/h12-13H,1-11,15H2,(H,16,17)

>  <InChI Key>
AKTMNFPHGGUJFY-UHFFFAOYSA-N

