Common name
1-(trimethyl-λ4-azanyl)propane
IUPAC name
1-(trimethyl-λ4-azanyl)propane
SMILES
[N](C)(C)(C)CCC
Common name
1-(trimethyl-λ4-azanyl)propane
IUPAC name
1-(trimethyl-λ4-azanyl)propane
SMILES
[N](C)(C)(C)CCC
INCHI
InChI=1S/C6H16N/c1-5-6-7(2,3)4/h5-6H2,1-4H3
FORMULA
C6H16N
Common name
1-(trimethyl-λ4-azanyl)propane
IUPAC name
1-(trimethyl-λ4-azanyl)propane
Molecular weight
102.198
clogP
-2.090
clogS
-2.218
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00873 | Bethanechol |
|
Parasympathomimetics; Muscarinic Agonists; Nervous System; Choline Esters; | For the treatment of acute postoperative and postpartum nonobstructive (functional) urinary retention and for neurogenic atony of the urinary bladder with retention. |
| FDBD01089 | Decamethonium |
|
Neuromuscular Depolarizing Agents; | For use as a skeletal muscle relaxant. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_3_3.mol2 | 4bgk | 1 | -6.34 | [N+](C)(C)(C)CCC | 7 |
| 4fmu_ligand_2_22.mol2 | 4fmu | 1 | -6.21 | C[NH2+]CCC | 5 |
| 1pot_ligand_3_10.mol2 | 1pot | 1 | -6.20 | C(C[NH2+]C)C | 5 |
| 3fhe_ligand_4_121.mol2 | 3fhe | 1 | -5.98 | C[NH+](CCC)C | 6 |
| 4fmu_ligand_3_22.mol2 | 4fmu | 1 | -5.98 | C([NH2+]C)CC | 5 |
| 1p0y_ligand_2_5.mol2 | 1p0y | 1 | -5.96 | C([NH2+]C)CC | 5 |
| 3k26_ligand_3_85.mol2 | 3k26 | 1 | -5.95 | C([N+](C)(C)C)CC | 7 |
| 3iiw_ligand_3_781.mol2 | 3iiw | 1 | -5.94 | C([N+](C)(C)C)CC | 7 |
| 3jzg_ligand_3_550.mol2 | 3jzg | 1 | -5.94 | CCC[N+](C)(C)C | 7 |
211 ,
22
