N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)-
PubChem CID: 11506817
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | All-trans-spilanthol, UNII-6K2O4RQ57D, 6K2O4RQ57D, (2e,6e,8e)-n-(2-methylpropyl)-2,6,8-decatrienamide, 76361-77-8, (2E,6E,8E)-N-Isobutyl-2,6,8-decatrienamide, 2,6,8-Decatrienamide, N-(2-methylpropyl)-, (E,E,E)-, N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)-, 2,6,8-Decatrienamide, N-(2-methylpropyl)-, (2E,6E,8E)-, N-ISOBUTYL-2,6,8-DECATRIENAMIDE, N-ISOBUTYL-2,6,8-DECATRIENAMIDE, (E,E,E)-, SCHEMBL285275, (2E,6E,8E)-N-Isobutyldeca-2,6,8-trienamide, Q27265030, (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | N-acyl amines |
| Deep Smiles | C/C=C/C=C/CC/C=C/C=O)NCCC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H23NO |
| Inchi Key | BXOCHUWSGYYSFW-RXTMUMTRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | n-isobutyl-2,6,8-decatrienamide (spilanthol), spilanthol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(=O)NC, C/C=C/C=C/C |
| Compound Name | N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)- |
| Exact Mass | 221.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 221.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6+,11-10+ |
| Smiles | C/C=C/C=C/CC/C=C/C(=O)NCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Acmella Oleracea (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Acmella Paniculata (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172361792 - 3. Outgoing r'ship
FOUND_INto/from Spilanthes Acmella (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698952 - 4. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Reference:ISBN:9780387706375 - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279