
 SCHEMBL632058

 36 38  0  0  0  0  0  0  0  0999 V2000
    4.8335   -0.4320    1.0399 C   0  0  0  0  0
    4.4944    0.2779   -0.2629 C   0  0  0  0  0
    4.4272    1.7334   -0.0847 N   0  0  0  0  0
    3.1519    2.2621    0.4302 C   0  0  0  0  0
    2.1883    2.6985   -0.6132 C   0  0  0  0  0
    0.8988    3.1764   -0.5441 C   0  0  0  0  0
    0.4184    3.4715   -1.7931 N   0  0  0  0  0
    1.3989    3.1823   -2.6190 C   0  0  0  0  0
    2.4867    2.7044   -1.9541 N   0  0  0  0  0
    5.5032    2.5732   -0.3534 C   0  0  0  0  0
    6.8163    2.0939   -0.5125 C   0  0  0  0  0
    7.9124    2.9349   -0.8121 C   0  0  0  0  0
    9.2186    2.4331   -0.9528 C   0  0  0  0  0
   10.2860    3.2828   -1.2539 C   0  0  0  0  0
   10.0641    4.6461   -1.4218 C   0  0  0  0  0
    8.7768    5.1616   -1.2821 C   0  0  0  0  0
    7.6974    4.3173   -0.9728 C   0  0  0  0  0
    6.4048    4.8179   -0.8119 C   0  0  0  0  0
    5.3403    3.9620   -0.4996 C   0  0  0  0  0
    4.8076   -1.5170    0.8925 H   0  0  0  0  0
    4.1148   -0.1852    1.8283 H   0  0  0  0  0
    5.8290   -0.1597    1.3986 H   0  0  0  0  0
    3.5215   -0.0863   -0.6173 H   0  0  0  0  0
    5.2037   -0.0044   -1.0498 H   0  0  0  0  0
    3.3339    3.0814    1.1374 H   0  0  0  0  0
    2.6569    1.4876    1.0313 H   0  0  0  0  0
    0.2916    3.3300    0.3398 H   0  0  0  0  0
    1.3781    3.2989   -3.6939 H   0  0  0  0  0
    3.3759    2.4253   -2.3503 H   0  0  0  0  0
    7.0234    1.0356   -0.3826 H   0  0  0  0  0
    9.4142    1.3710   -0.8257 H   0  0  0  0  0
   11.2900    2.8789   -1.3558 H   0  0  0  0  0
   10.8924    5.3090   -1.6578 H   0  0  0  0  0
    8.6189    6.2298   -1.4136 H   0  0  0  0  0
    6.2047    5.8803   -0.9278 H   0  0  0  0  0
    4.3642    4.4273   -0.3968 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL632058

>  <PubChem CID>
24947335

>  <Formula>
C16H17N3

>  <Molecular Weight>
251.333000

>  <IUPAC Name>
N-ethyl-N-(1H-imidazol-5-ylmethyl)naphthalen-2-amine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC1=CN=CN1)C2=CC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
CCN(CC1=CN=CN1)C2=CC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C16H17N3/c1-2-19(11-15-10-17-12-18-15)16-8-7-13-5-3-4-6-14(13)9-16/h3-10,12H,2,11H2,1H3,(H,17,18)

>  <InChI Key>
AWAKTMGMXAQNLJ-UHFFFAOYSA-N

