
 N-cyclohexylquinazolin-4-amine

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.4323    1.7783   -0.9741 C   0  0  0  0  0
   -0.7717    1.4245   -0.1086 C   0  0  0  0  0
   -1.3195    0.0344   -0.4364 C   0  0  0  0  0
   -0.2505   -1.0697   -0.4034 C   0  0  0  0  0
    0.9864   -0.6688   -1.2250 C   0  0  0  0  0
    1.5221    0.7182   -0.8756 C   0  0  0  0  0
    0.1762   -1.3642    0.9715 N   0  0  0  0  0
   -0.6112   -2.2652    1.7171 C   0  0  0  0  0
   -1.6828   -2.8283    1.1333 N   0  0  0  0  0
   -2.3862   -3.6949    1.8679 C   0  0  0  0  0
   -2.1309   -4.0582    3.1288 N   0  0  0  0  0
   -1.0547   -3.5098    3.6978 C   0  0  0  0  0
   -0.7398   -3.8719    5.0029 C   0  0  0  0  0
    0.3748   -3.3525    5.6668 C   0  0  0  0  0
    1.2049   -2.4513    5.0160 C   0  0  0  0  0
    0.9108   -2.0736    3.7070 C   0  0  0  0  0
   -0.2279   -2.5911    3.0353 C   0  0  0  0  0
    0.1138    1.8795   -2.0190 H   0  0  0  0  0
    0.8345    2.7510   -0.6683 H   0  0  0  0  0
   -1.5603    2.1714   -0.2582 H   0  0  0  0  0
   -0.4901    1.4750    0.9496 H   0  0  0  0  0
   -2.1423   -0.1963    0.2505 H   0  0  0  0  0
   -1.7547    0.0649   -1.4439 H   0  0  0  0  0
   -0.6514   -1.9747   -0.8768 H   0  0  0  0  0
    1.7849   -1.4098   -1.0937 H   0  0  0  0  0
    0.7185   -0.6809   -2.2899 H   0  0  0  0  0
    1.9403    0.7120    0.1380 H   0  0  0  0  0
    2.3438    0.9730   -1.5545 H   0  0  0  0  0
    0.3391   -0.5250    1.5183 H   0  0  0  0  0
   -3.2501   -4.1478    1.3943 H   0  0  0  0  0
   -1.3793   -4.5849    5.5175 H   0  0  0  0  0
    0.5915   -3.6618    6.6862 H   0  0  0  0  0
    2.0805   -2.0491    5.5186 H   0  0  0  0  0
    1.5802   -1.3834    3.2004 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  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
M  END

>  <Chemical Name>
N-cyclohexylquinazolin-4-amine

>  <PubChem CID>
13231190

>  <Formula>
C14H17N3

>  <Molecular Weight>
227.311000

>  <IUPAC Name>
N-cyclohexylquinazolin-4-amine

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)NC2=NC=NC3=CC=CC=C32

>  <Isomeric SMILES>
C1CCC(CC1)NC2=NC=NC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)

>  <InChI Key>
CIFOBGKTSPXVQX-UHFFFAOYSA-N

