Common name
N,3-dimethylbutan-1-amine
IUPAC name
N,3-dimethylbutan-1-amine
SMILES
C(C(C)C)CNC
Common name
N,3-dimethylbutan-1-amine
IUPAC name
N,3-dimethylbutan-1-amine
SMILES
C(C(C)C)CNC
INCHI
InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3
FORMULA
C6H15N
Common name
N,3-dimethylbutan-1-amine
IUPAC name
N,3-dimethylbutan-1-amine
Molecular weight
101.190
clogP
0.936
clogS
-1.874
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00382 | Vancomycin |
|
Anti-Bacterial Agents; Antibiotics; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Intestinal Antiinfectives; Glycopeptide Antibacterials; | For the treatment of serious or severe infections caused by susceptible strains of methicillin-resistant (beta-lactam-resistant) staphylococci. |
| FDBD01347 | Oritavancin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Glycopeptide Antibacterials; | Investigated for use/treatment in bacterial infection and skin infections/disorders. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p0y_ligand_3_3.mol2 | 1p0y | 1 | -6.17 | C([NH2+]C)CCC | 6 |
| 1w6j_ligand_5_786.mol2 | 1w6j | 1 | -6.10 | C(C[NH+](C)C)CC | 7 |
| 1vsn_ligand_3_111.mol2 | 1vsn | 1 | -6.09 | C(CC(C)C)[NH2+]C | 7 |
| 1h3b_ligand_5_210.mol2 | 1h3b | 1 | -6.08 | C(CC)C[NH+](C)C | 7 |
| 2p1c_ligand_5_77.mol2 | 2p1c | 1 | -6.07 | CCCC[NH+](C)C | 7 |
| 4zun_ligand_4_30.mol2 | 4zun | 1 | -6.07 | [NH2+](C)CCCC | 6 |
| 1gsz_ligand_5_786.mol2 | 1gsz | 1 | -6.04 | C[NH+](C)CCCC | 7 |
| 1w6j_ligand_4_480.mol2 | 1w6j | 1 | -6.04 | C(C[NH2+]C)CC | 6 |
| 1o6r_ligand_5_210.mol2 | 1o6r | 1 | -6.03 | C(CC)C[NH+](C)C | 7 |
163 ,
17
