Common name
1-cyclobutyl-N,N-dimethyl-methanamine
IUPAC name
1-cyclobutyl-N,N-dimethyl-methanamine
SMILES
C(C1CCC1)N(C)C
Common name
1-cyclobutyl-N,N-dimethyl-methanamine
IUPAC name
1-cyclobutyl-N,N-dimethyl-methanamine
SMILES
C(C1CCC1)N(C)C
INCHI
InChI=1S/C7H15N/c1-8(2)6-7-4-3-5-7/h7H,3-6H2,1-2H3
FORMULA
C7H15N
Common name
1-cyclobutyl-N,N-dimethyl-methanamine
IUPAC name
1-cyclobutyl-N,N-dimethyl-methanamine
Molecular weight
113.201
clogP
1.224
clogS
-1.215
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00955 | Sibutramine |
|
Appetite Depressants; Antidepressive Agents; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors; | For the treatment of obesity. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hra_ligand_4_92.mol2 | 4hra | 0.9375 | -5.70 | C[NH2+][C@H]1C[C@H](C1)CC | 8 |
| 1h37_ligand_4_201.mol2 | 1h37 | 0.875 | -6.10 | C[NH2+]C[C@@H]1[C@H](C1)C | 7 |
| 2zft_ligand_1_4.mol2 | 2zft | 0.875 | -6.00 | C1(CCCC1)[NH2+]C | 7 |
| 3h3c_ligand_1_5.mol2 | 3h3c | 0.875 | -5.89 | [NH+](C)(C)C1CCCC1 | 8 |
| 4hra_ligand_3_65.mol2 | 4hra | 0.866667 | -5.61 | [NH2+]([C@H]1C[C@H](C1)C)C | 7 |
| 2vie_ligand_4_992.mol2 | 2vie | 0.8 | -6.37 | C(C)(C)(CCC)[NH2+]C | 8 |
| 4hra_ligand_2_27.mol2 | 4hra | 0.8 | -5.32 | [NH2+](C1CCC1)C | 6 |
| 4hra_ligand_5_105.mol2 | 4hra | 0.789474 | -6.31 | C[N@H+](C(C)C)[C@H]1C[C@H](C1)CC | 11 |
| 4hra_ligand_4_91.mol2 | 4hra | 0.789474 | -6.26 | C(C)(C)[NH2+][C@H]1C[C@H](C1)CC | 10 |
156 ,
16
