2,5,5-Trimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID: 71341358
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| Compound Synonyms | 136150-24-8, 2,5,5-Trimethyl-5,6,7,8-tetrahydroquinoline, DTXSID10768306 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | Ccccccn6)CCCC6C)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCCC2C1 |
| Classyfire Subclass | Hydroquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5,5-trimethyl-7,8-dihydro-6H-quinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H17N |
| Scaffold Graph Node Bond Level | c1cnc2c(c1)CCCC2 |
| Inchi Key | OVXXQJSURHNKSG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,5,5-trimethyl5,6,7,8-tetrahydro- quinoline |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2,5,5-Trimethyl-5,6,7,8-tetrahydroquinoline |
| Exact Mass | 175.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 175.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 175.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H17N/c1-9-6-7-10-11(13-9)5-4-8-12(10,2)3/h6-7H,4-5,8H2,1-3H3 |
| Smiles | CC1=NC2=C(C=C1)C(CCC2)(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493