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 |
|---|---|---|---|---|---|
| 2jkh_ligand_2_7.mol2 | 2jkh | 1 | -5.76 | [N+](C)(C)(C)CC | 6 |
| 3jzg_ligand_2_114.mol2 | 3jzg | 1 | -5.76 | CC[N+](C)(C)C | 6 |
| 4jdf_ligand_2_4.mol2 | 4jdf | 1 | -5.76 | CC[NH2+]C | 4 |
| 4kjv_ligand_frag_5.mol2 | 4kjv | 1 | -5.76 | C(C)[NH2+]C | 4 |
| 3iiw_ligand_2_138.mol2 | 3iiw | 1 | -5.75 | C([N+](C)(C)C)C | 6 |
| 3jzh_ligand_2_132.mol2 | 3jzh | 1 | -5.75 | C(C)[N+](C)(C)C | 6 |
| 4lge_ligand_1_0.mol2 | 4lge | 1 | -5.75 | [NH2+](C)CC | 4 |
| 4wvt_ligand_1_0.mol2 | 4wvt | 1 | -5.74 | C(C)[NH2+]C | 4 |
577 ,
58
