Common name
2,2-dimethylpropan-1-imine
IUPAC name
2,2-dimethylpropan-1-imine
SMILES
CC(C)(C)C=N
Common name
2,2-dimethylpropan-1-imine
IUPAC name
2,2-dimethylpropan-1-imine
SMILES
CC(C)(C)C=N
INCHI
InChI=1S/C5H11N/c1-5(2,3)4-6/h4,6H,1-3H3
FORMULA
C5H11N
Common name
2,2-dimethylpropan-1-imine
IUPAC name
2,2-dimethylpropan-1-imine
Molecular weight
85.148
clogP
0.965
clogS
-1.075
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
23.85
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01884 | nitrilacarb |
|
Insecticide | Insecticide |
| FDBD01889 | thiofanox |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ms6_ligand_2_38.mol2 | 1ms6 | 1 | -5.20 | CCC=N | 4 |
| 3bv9_ligand_2_1.mol2 | 3bv9 | 0.714286 | -5.66 | C(=[NH2])CCC | 5 |
6967 ,
697
