Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
SMILES
N(CCC)CC
Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
SMILES
N(CCC)CC
INCHI
InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3
FORMULA
C5H13N
Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
Molecular weight
87.163
clogP
0.682
clogS
-1.817
Frequency
0.0086
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 |
|---|---|---|---|---|
| FDBD01555 | Gadoxetate |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. |
| FDBD01609 | Etidocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | |
| FDBD01623 | Articaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
25 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_4_55.mol2 | 4fmu | 1 | -6.92 | C([NH2+]CCC)(C)C | 7 |
| 1pot_ligand_4_10.mol2 | 1pot | 1 | -6.61 | C(C[NH2+]CC)C | 6 |
| 4fmu_ligand_3_40.mol2 | 4fmu | 1 | -6.54 | C([NH2+]CCC)C | 6 |
| 4fmu_ligand_3_46.mol2 | 4fmu | 1 | -6.50 | C([NH2+]CCC)C | 6 |
| 3acx_ligand_3_37.mol2 | 3acx | 1 | -6.26 | C(C)(C)[NH2+]CCC | 7 |
| 4eki_ligand_5_231.mol2 | 4eki | 1 | -6.18 | C(C)C[N@H+](C)C(C)C | 8 |
| 4eki_ligand_4_175.mol2 | 4eki | 1 | -6.17 | C(C)C[NH2+]C(C)C | 7 |
| 2f94_ligand_5_50.mol2 | 2f94 | 1 | -6.12 | C(C)[N@H+](CCC)C | 7 |
| 4zun_ligand_4_20.mol2 | 4zun | 1 | -6.09 | [NH2+](CC)CCC | 6 |
274 ,
28
