n,n,n-Trimethylethenaminium
PubChem CID: 10043
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | n,n,n-trimethylethenaminium, ethenyl(trimethyl)azanium, Trimethylvinylammonium(1+), 13448-18-5, ETHENYLTRIMETHYLAZANIUM, PPJWCUOWPVSSSW-UHFFFAOYSA-, DTXSID60870544, CHEBI:179266, InChI=1/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 49.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethenyl(trimethyl)azanium |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C5H12N+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | PPJWCUOWPVSSSW-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 1.0 |
| Compound Name | n,n,n-Trimethylethenaminium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.097 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 86.097 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 86.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7932796 |
| Inchi | InChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1 |
| Smiles | C[N+](C)(C)C=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients