Common name
2-methylprop-2-en-1-amine
IUPAC name
2-methylprop-2-en-1-amine
SMILES
NCC(=C)C
Common name
2-methylprop-2-en-1-amine
IUPAC name
2-methylprop-2-en-1-amine
SMILES
NCC(=C)C
INCHI
InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
FORMULA
C4H9N
Common name
2-methylprop-2-en-1-amine
IUPAC name
2-methylprop-2-en-1-amine
Molecular weight
71.121
clogP
0.035
clogS
-0.617
Frequency
0.0010
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02230 | flufiprole |
|
Insecticide | Insecticide |
| FDBD02522 | ethalfluralin |
|
Herbicide | Herbicide |
| FDBD02525 | methalpropalin |
|
Herbicide | Herbicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4h4d_ligand_1_5.mol2 | 4h4d | 1 | -5.84 | C=C(C)C[NH3+] | 5 |
| 4h4d_ligand_2_14.mol2 | 4h4d | 0.8 | -6.14 | C/C=C(\C)/C[NH3+] | 6 |
| 1h37_ligand_2_43.mol2 | 1h37 | 0.75 | -5.63 | C(C=C)[NH3+] | 4 |
| 1pzj_ligand_2_52.mol2 | 1pzj | 0.75 | -5.01 | C=CC[NH3+] | 4 |
520 ,
53
