Common name
N-ethylpropan-2-amine
IUPAC name
N-ethylpropan-2-amine
SMILES
C(C)(C)NCC
Common name
N-ethylpropan-2-amine
IUPAC name
N-ethylpropan-2-amine
SMILES
C(C)(C)NCC
INCHI
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
FORMULA
C5H13N
Common name
N-ethylpropan-2-amine
IUPAC name
N-ethylpropan-2-amine
Molecular weight
87.163
clogP
0.511
clogS
-1.443
Frequency
0.0045
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 |
|---|---|---|---|---|
| FDBD01586 | Isoxsuprine |
|
Sympathomimetics; Vasodilator Agents; Tocolytic Agents; Adrenergic beta-Agonists; Cardiovascular System; Peripheral Vasodilators; 2-Amino-1-Phenylethanol Derivatives; | |
| FDBD01831 | Selexipag |
|
Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Selexipag is indicated for the treatment of pulmonary arterial hypertension (PAH) to delay disease progression and reduce risk of hospitalization. |
| FDBD01867 | benfuracarb |
|
Insecticide | Insecticide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3acx_ligand_2_15.mol2 | 3acx | 1 | -6.07 | C(C)(C)[NH2+]CC | 6 |
| 4eki_ligand_3_100.mol2 | 4eki | 1 | -6.04 | C(C)(C)[NH2+]CC | 6 |
| 4eki_ligand_4_195.mol2 | 4eki | 1 | -6.04 | CC[N@H+](C)C(C)C | 7 |
| 2c4f_ligand_2_30.mol2 | 2c4f | 1 | -5.89 | [NH2+](C(C)C)C(C)C | 7 |
| 4wvl_ligand_3_340.mol2 | 4wvl | 1 | -5.85 | C(C)(C)[NH2+]CC | 6 |
| 4wvl_ligand_4_1325.mol2 | 4wvl | 1 | -5.80 | CC[N@H+](C)C(C)C | 7 |
| 2fwz_ligand_2_0.mol2 | 2fwz | 1 | -5.47 | CC[NH2+]C(C)C | 6 |
| 3myg_ligand_3_25.mol2 | 3myg | 1 | -5.36 | C(C)[N@H+](C)C(C)C | 7 |
| 4bhf_ligand_2_1.mol2 | 4bhf | 0.857143 | -6.47 | [N+](C)(C)(C)C(C)C | 7 |
280 ,
29
