Common name
3,3-dimethylbutan-2-imine
IUPAC name
3,3-dimethylbutan-2-imine
SMILES
CC(C)(C)C(=N)C
Common name
3,3-dimethylbutan-2-imine
IUPAC name
3,3-dimethylbutan-2-imine
SMILES
CC(C)(C)C(=N)C
INCHI
InChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3
FORMULA
C6H13N
Common name
3,3-dimethylbutan-2-imine
IUPAC name
3,3-dimethylbutan-2-imine
Molecular weight
99.174
clogP
1.236
clogS
-1.490
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
23.85
Number of Rings
0
Rotatable Bond
1
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bv9_ligand_2_1.mol2 | 3bv9 | 0.857143 | -5.66 | C(=[NH2])CCC | 5 |
| 1ms6_ligand_2_38.mol2 | 1ms6 | 0.833333 | -5.20 | CCC=N | 4 |
2446 ,
245
