Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
SMILES
N(CC)CC
Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
SMILES
N(CC)CC
INCHI
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
FORMULA
C4H11N
Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
Molecular weight
73.137
clogP
0.266
clogS
-1.379
Frequency
0.0240
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02081 | amiton |
|
Insecticide | Insecticide |
| FDBD02152 | pirimiphos-ethyl |
|
Insecticide | Insecticide |
| FDBD02153 | pirimiphos-methyl |
|
Insecticide | Insecticide |
| FDBD02209 | pirimetaphos |
|
Insecticide | Insecticide |
| FDBD02517 | benfluralin |
|
Herbicide | Herbicide |
| FDBD02520 | dinitramine |
|
Herbicide | Herbicide |
| FDBD02723 | chlorazine |
|
Herbicide | Herbicide |
| FDBD02727 | ipazine |
|
Herbicide | Herbicide |
| FDBD02735 | trietazine |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
70 ,
8
| 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
