5,6,7,8-Tetrahydro-4-methylquinoline
PubChem CID: 185667
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| Compound Synonyms | 4-methyl-5,6,7,8-tetrahydroquinoline, 28971-03-1, 5,6,7,8-Tetrahydro-4-methylquinoline, Quinoline, 5,6,7,8-tetrahydro-4-methyl-, Quinoline,5,6,7,8-tetrahydro-4-methyl, DTXSID40951587, 5,6,7,8-Tetrahydrolepidine, SCHEMBL795349, LGYCOYCCCKHXGC-UHFFFAOYSA-N, DTXCID701021353, HY-W049311, BS-33950, DA-18813, CS-0102388, G79768 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-5,6,7,8-tetrahydroquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGYCOYCCCKHXGC-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.04 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.177 |
| Compound Name | 5,6,7,8-Tetrahydro-4-methylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.699906563636364 |
| Inchi | InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h6-7H,2-5H2,1H3 |
| Smiles | CC1=C2CCCCC2=NC=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients