Common name
2-methylpropan-2-amine
IUPAC name
2-methylpropan-2-amine
SMILES
CC(N)(C)C
Common name
2-methylpropan-2-amine
IUPAC name
2-methylpropan-2-amine
SMILES
CC(N)(C)C
INCHI
InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
FORMULA
C4H11N
Common name
2-methylpropan-2-amine
IUPAC name
2-methylpropan-2-amine
Molecular weight
73.137
clogP
-0.127
clogS
-0.595
Frequency
0.0076
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02743 | terbumeton |
|
Herbicide | Herbicide |
| FDBD02751 | terbutryn |
|
Herbicide | Herbicide |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vin_ligand_1_0.mol2 | 2vin | 1 | -6.13 | CC(C)[NH3+] | 4 |
| 4w7p_ligand_1_0.mol2 | 4w7p | 1 | -6.13 | CC(C)(C)[NH3+] | 5 |
| 2vj8_ligand_2_34.mol2 | 2vj8 | 1 | -6.11 | CC(C)[NH3+] | 4 |
| 4fmu_ligand_2_13.mol2 | 4fmu | 1 | -6.08 | C([NH3+])(C)C | 4 |
| 4lar_ligand_1_0.mol2 | 4lar | 1 | -6.06 | CC([NH3+])C | 4 |
| 2irz_ligand_1_5.mol2 | 2irz | 1 | -6.04 | CC([NH3+])C | 4 |
| 2fdp_ligand_2_13.mol2 | 2fdp | 1 | -6.03 | CC(C)[NH3+] | 4 |
| 2is0_ligand_2_31.mol2 | 2is0 | 1 | -6.03 | C([NH3+])(C)C | 4 |
| 2oah_ligand_2_39.mol2 | 2oah | 1 | -6.01 | CC(C)[NH3+] | 4 |
599 ,
60
