Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
SMILES
N(C)(C)CCC
Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
SMILES
N(C)(C)CCC
INCHI
InChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3
FORMULA
C5H13N
Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
Molecular weight
87.163
clogP
0.237
clogS
-1.084
Frequency
0.0113
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | |
| FDBD03038 | propamocarb |
|
Fungicide | Fungicide |
| FDBD03229 | prothiocarb |
|
Fungicide | Fungicide |
33 ,
4
| 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
