N-Normethylskytanthine
PubChem CID: 3082772
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| Compound Synonyms | N-Normethylskytanthine, delta-N-Normethylskytanthine, 116183-67-6, DTXSID40151308, 1H-2-Pyrindine, octahydro-4,7-dimethyl-, (4R-(4alpha,4abeta,7beta,7abeta))-, (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine, DTXCID5073799 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Terpenoid alkaloids |
| Deep Smiles | C[C@@H]CC[C@@H][C@H]5CNC[C@@H]6C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CC2CCNCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H19N |
| Scaffold Graph Node Bond Level | C1CC2CCNCC2C1 |
| Inchi Key | XFDFLVUGOJZRPW-KATARQTJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | n-normethylskytanthine |
| Esol Class | Soluble |
| Functional Groups | CNC |
| Compound Name | N-Normethylskytanthine |
| Exact Mass | 153.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.152 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 153.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H19N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@H]1CNC[C@@H]2C |
| Np Classifier Biosynthetic Pathway | Alkaloids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
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