2-Isobutyl-4-methylpyridine
PubChem CID: 572331
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| Compound Synonyms | 2-Isobutyl-4-methylpyridine, 85665-88-9, 4-methyl-2-(2-methylpropyl)pyridine, Pyridine, 4-methyl-2-(2-methylpropyl)-, DTXSID40341328, 2-Isobutyl-4-methylpyridin, SCHEMBL6920045, DTXCID60292409, 4-methyl-2-(2-methyl-propyl)-pyridine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCCcncccc6)C)))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Methylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-2-(2-methylpropyl)pyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | GZUWMFOJIYTMTM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-isobutyl-4-methylpyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Isobutyl-4-methylpyridine |
| Exact Mass | 149.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 149.23 |
| 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/C10H15N/c1-8(2)6-10-7-9(3)4-5-11-10/h4-5,7-8H,6H2,1-3H3 |
| Smiles | CC1=CC(=NC=C1)CC(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
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