Common name
N-methylpropan-1-amine
IUPAC name
N-methylpropan-1-amine
SMILES
N(CCC)C
Common name
N-methylpropan-1-amine
IUPAC name
N-methylpropan-1-amine
SMILES
N(CCC)C
INCHI
InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3
FORMULA
C4H11N
Common name
N-methylpropan-1-amine
IUPAC name
N-methylpropan-1-amine
Molecular weight
73.137
clogP
0.266
clogS
-1.379
Frequency
0.0148
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 |
|---|---|---|---|---|
| FDBD02882 | prosulfalin |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
43 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_3_3.mol2 | 4bgk | 1 | -6.34 | [N+](C)(C)(C)CCC | 7 |
| 4fmu_ligand_2_22.mol2 | 4fmu | 1 | -6.21 | C[NH2+]CCC | 5 |
| 1pot_ligand_3_10.mol2 | 1pot | 1 | -6.20 | C(C[NH2+]C)C | 5 |
| 3fhe_ligand_4_121.mol2 | 3fhe | 1 | -5.98 | C[NH+](CCC)C | 6 |
| 4fmu_ligand_3_22.mol2 | 4fmu | 1 | -5.98 | C([NH2+]C)CC | 5 |
| 1p0y_ligand_2_5.mol2 | 1p0y | 1 | -5.96 | C([NH2+]C)CC | 5 |
| 3k26_ligand_3_85.mol2 | 3k26 | 1 | -5.95 | C([N+](C)(C)C)CC | 7 |
| 3iiw_ligand_3_781.mol2 | 3iiw | 1 | -5.94 | C([N+](C)(C)C)CC | 7 |
| 3jzg_ligand_3_550.mol2 | 3jzg | 1 | -5.94 | CCC[N+](C)(C)C | 7 |
211 ,
22
