Tropane
PubChem CID: 637986
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| Compound Synonyms | 2,3-Dihydro-8-methylnortropidine, (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane, 1alphaH,5alphaH-Tropane, UNII-62QFG0728A, 62QFG0728A, TROPANE [MI], N-Methyl-8-azabicyclo[3.2.1]octane, 8-Azabicyclo(3.2.1)octane, 8-methyl-, CHEBI:35615, 1.ALPHA.H,5.ALPHA.H-TROPANE, N-METHYL-8-AZABICYCLO(3.2.1)OCTANE, (1R,5S)-8-methyl-8-azabicyclo(3.2.1)octane, DTXSID50879243, Tropane, 98%, SCHEMBL44881, XLRPYZSEQKXZAA-OCAPTIKFSA-N, DTXCID101017257, 8-Azabicyclo[3.2.1]octane, 8-methyl-,?(1R,5S)-, 628-350-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC(C1)C2 |
| Np Classifier Class | Tropane alkaloids |
| Deep Smiles | CN[C@@H]CCC[C@H]6CC7 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Tropane alkaloids |
| Scaffold Graph Node Level | C1CC2CCC(C1)N2 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15N |
| Scaffold Graph Node Bond Level | C1CC2CCC(C1)N2 |
| Inchi Key | XLRPYZSEQKXZAA-OCAPTIKFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | tropane, tropane (tropine) |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | Tropane |
| Exact Mass | 125.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 125.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+ |
| Smiles | CN1[C@@H]2CCC[C@H]1CC2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
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