Common name
cyclohexylmethanamine
IUPAC name
cyclohexylmethanamine
SMILES
NCC1CCCCC1
Common name
cyclohexylmethanamine
IUPAC name
cyclohexylmethanamine
SMILES
NCC1CCCCC1
INCHI
InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
FORMULA
C7H15N
Common name
cyclohexylmethanamine
IUPAC name
cyclohexylmethanamine
Molecular weight
113.201
clogP
1.605
clogS
-1.304
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00850 | Gabapentin |
|
Anti-Anxiety Agents; Antiparkinson Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Antimanic Agents; Excitatory Amino Acid Antagonists; Nervous System; Antiepileptics; | For the management of postherpetic neuralgia in adults and as adjunctive therapy in the treatment of partial seizures with and without secondary generalization in patients over 12 years of age with epilepsy. |
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5all_ligand_1_0.mol2 | 5all | 1 | -7.29 | C1[C@H](CCC[C@H]1C[NH3+])C | 9 |
| 4yuw_ligand_frag_0.mol2 | 4yuw | 1 | -7.10 | [NH3+][C@H]1CC[C@@H](CC1)C | 8 |
| 4yuw_ligand.mol2 | 4yuw | 1 | -7.10 | [NH3+][C@H]1CC[C@@H](CC1)C | 9 |
| 2gnj_ligand_1_1.mol2 | 2gnj | 1 | -6.87 | C1CCC(CC1)[C@@H](C)[NH3+] | 9 |
135 ,
14
