5,6,7,8-Tetrahydro-2,4-dimethylquinoline
PubChem CID: 5321849
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| Compound Synonyms | 5,6,7,8-Tetrahydro-2,4-dimethylquinoline, 2,4-dimethyl-5,6,7,8-tetrahydroquinoline, 60169-66-6, 2,4-dimethyl-5,6,7,8-tetrahydro-quinoline, NF9GWK3BH2, SCHEMBL527227, CHEBI:231281, DTXSID801276347, Quinoline, 5,6,7,8-tetrahydro-2,4-dimethyl- |
|---|---|
| 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 | 0.0 |
| Iupac Name | 2,4-dimethyl-5,6,7,8-tetrahydroquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C11H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZBIKAJHAGKBFKR-UHFFFAOYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -2.265 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.599 |
| Compound Name | 5,6,7,8-Tetrahydro-2,4-dimethylquinoline |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0052376 |
| Inchi | InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3 |
| Smiles | CC1=CC(=NC2=C1CCCC2)C |
| 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 Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients