(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID: 13308943
Connections displayed (default: 10).
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| Topological Polar Surface Area | 12.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C11H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJDDOHPPRKLEKF-MRVPVSSYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -2.297 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.441 |
| Compound Name | (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 161.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9800376 |
| Inchi | InChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h6-8H,3-5H2,1-2H3/t8-/m1/s1 |
| Smiles | C[C@@H]1CCCC2=C1C=CC(=N2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chiloscyphus Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conocarpus Erectus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fabiana Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lupinus Pilosus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Magnolia Fraseri (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients