Common name
1-cyclohexyl-N-methyl-methanamine
IUPAC name
1-cyclohexyl-N-methyl-methanamine
SMILES
N(C)CC1CCCCC1
Common name
1-cyclohexyl-N-methyl-methanamine
IUPAC name
1-cyclohexyl-N-methyl-methanamine
SMILES
N(C)CC1CCCCC1
INCHI
InChI=1S/C8H17N/c1-9-7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
FORMULA
C8H17N
Common name
1-cyclohexyl-N-methyl-methanamine
IUPAC name
1-cyclohexyl-N-methyl-methanamine
Molecular weight
127.227
clogP
1.962
clogS
-2.119
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01345 | Ximelagatran |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of acute deep vein thrombosis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ea2_ligand_1_6.mol2 | 4ea2 | 1 | -7.11 | C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)[C@H]3[NH2+]C | 12 |
| 2pjl_ligand_2_5.mol2 | 2pjl | 1 | -6.97 | C[NH2+]CC1CCCCC1 | 9 |
| 3eos_ligand_2_7.mol2 | 3eos | 1 | -6.44 | C1(CCCCC1)C[NH2+]C | 9 |
| 4bak_ligand_2_21.mol2 | 4bak | 1 | -6.42 | C(C1CCCCC1)[NH2+]C | 9 |
| 4bao_ligand_2_0.mol2 | 4bao | 1 | -6.40 | C1(CCCCC1)C[NH2+]C | 9 |
| 4baq_ligand_2_0.mol2 | 4baq | 1 | -6.38 | C1(CCCCC1)C[NH2+]C | 9 |
| 1hii_ligand_3_425.mol2 | 1hii | 1 | -6.37 | [NH2+](C)CC1CCCCC1 | 9 |
| 4bam_ligand_2_0.mol2 | 4bam | 1 | -6.36 | C[NH2+]CC1CCCCC1 | 9 |
| 4ea1_ligand_1_6.mol2 | 4ea1 | 1 | -6.35 | [NH2+](C)[C@@H]1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 | 12 |
| 4ban_ligand_2_0.mol2 | 4ban | 1 | -6.33 | C([NH2+]C)C1CCCCC1 | 9 |
589 ,
59
