Common name
N-methylethanamine
IUPAC name
N-methylethanamine
SMILES
N(CC)C
Common name
N-methylethanamine
IUPAC name
N-methylethanamine
SMILES
N(CC)C
INCHI
InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
FORMULA
C3H9N
Common name
N-methylethanamine
IUPAC name
N-methylethanamine
Molecular weight
59.110
clogP
-0.133
clogS
-0.933
Frequency
0.0429
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02517 | benfluralin |
|
Herbicide | Herbicide |
| FDBD02522 | ethalfluralin |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
| FDBD02968 | blasticidin-S |
|
Fungicide | Fungicide |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
125 ,
13
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_2_14.mol2 | 4fmu | 1 | -5.81 | C([NH2+]C)C | 4 |
| 3gm0_ligand_frag_1.mol2 | 3gm0 | 1 | -5.80 | C([NH2+]C)C | 4 |
| 2wsx_ligand_2_1.mol2 | 2wsx | 1 | -5.79 | [N+](C)(C)(C)CC | 6 |
| 2y5g_ligand_2_9.mol2 | 2y5g | 1 | -5.78 | CC[N+](C)(C)C | 6 |
| 2y5h_ligand_2_9.mol2 | 2y5h | 1 | -5.77 | CC[N+](C)(C)C | 6 |
| 3k26_ligand_2_30.mol2 | 3k26 | 1 | -5.77 | C([N+](C)(C)C)C | 6 |
| 4fmu_ligand_2_18.mol2 | 4fmu | 1 | -5.77 | C([NH2+]C)C | 4 |
577 ,
58
