Common name
N,N-diethylethanamine
IUPAC name
N,N-diethylethanamine
SMILES
C(C)N(CC)CC
Common name
N,N-diethylethanamine
IUPAC name
N,N-diethylethanamine
SMILES
C(C)N(CC)CC
INCHI
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
FORMULA
C6H15N
Common name
N,N-diethylethanamine
IUPAC name
N,N-diethylethanamine
Molecular weight
101.190
clogP
0.662
clogS
-1.515
Frequency
0.0079
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01782 | Imolamine |
|
Cardiovascular System; Cardiac Therapy; Vasodilators Used in Cardiac Diseases; | Used in the treatment of angina pectoris and as a local anesthetic. |
| FDBD01802 | Procaine benzylpenicillin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Beta-Lactam Antibacterials, Penicillins; Beta-Lactam Antibacterials, Penicillins, for Intramammary Use; Beta-Lactamase Sensitive Penicillins; | For the treatment of a number of bacterial infections. |
| FDBD02081 | amiton |
|
Insecticide | Insecticide |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jqe_ligand_4_125.mol2 | 1jqe | 1 | -6.44 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_4_0.mol2 | 2q9y | 1 | -6.43 | C(C)[N+](C)(CC)CC | 8 |
| 4b7z_ligand_4_31.mol2 | 4b7z | 1 | -6.40 | C(C)[NH+](CC)CC | 7 |
| 4b80_ligand_4_31.mol2 | 4b80 | 1 | -6.36 | [NH+](CC)(CC)CC | 7 |
| 4b82_ligand_4_14.mol2 | 4b82 | 1 | -6.36 | C(C)[NH+](CC)CC | 7 |
| 4b81_ligand_4_31.mol2 | 4b81 | 1 | -6.35 | [NH+](CC)(CC)CC | 7 |
| 4b85_ligand_4_14.mol2 | 4b85 | 1 | -6.33 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_3_6.mol2 | 2q9y | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4b84_ligand_4_30.mol2 | 4b84 | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4btl_ligand_4_69.mol2 | 4btl | 1 | -6.31 | [NH+](CC)(CC)CC | 7 |
237 ,
24
