(2E,6Z,8E)-N-[(2S)-2-methylbutyl]deca-2,6,8-trienamide
PubChem CID: 77844818
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| Compound Synonyms | SCHEMBL1029762 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 277.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,6Z,8E)-N-[(2S)-2-methylbutyl]deca-2,6,8-trienamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | LWJDBUUOYULAFU-BIQWTQLISA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -2.75 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.908 |
| Compound Name | (2E,6Z,8E)-N-[(2S)-2-methylbutyl]deca-2,6,8-trienamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 235.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 235.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.4740001999999994 |
| Inchi | InChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)/b6-4+,8-7-,12-11+/t14-/m0/s1 |
| Smiles | CC[C@H](C)CNC(=O)/C=C/CC/C=C\C=C\C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Chrysotrichum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Kahiricus (Plant) Rel Props:Source_db:cmaup_ingredients