(6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
PubChem CID: 137393716
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| Compound Synonyms | SCHEMBL20624673 |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H27N |
| Prediction Swissadme | 1.0 |
| Inchi Key | BDKQVCHNTAJNJR-JUAPXQOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.676 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.974 |
| Compound Name | (6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 221.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 221.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5856055999999996 |
| Inchi | InChI=1S/C15H27N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12,16H2,1-4H3/b14-9+,15-11? |
| Smiles | CC(=CCC/C(=C/CCC(=CCN)C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Longiradiatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ranunculus Acris (Plant) Rel Props:Source_db:cmaup_ingredients