9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID: 14403175
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| Compound Synonyms | 9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, 141650-55-7, 76272-41-8, EXO-3-AMINO-9-METHYL-9-AZABICYCLO[3,3,1]NONANE, exo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, 9-Azabicyclo[3.3.1]nonan-3-amine, 9-methyl-, Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, MFCD07374273, MFCD12198832, exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane, endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane, SCHEMBL703572, SCHEMBL5827482, (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, HTZWHTQVHWHSHN-UHFFFAOYSA-N, Granisetron Impurity E (free base), AKOS012006914, AC-1975, CS-W003398, PB23491, PB34711, DS-12906, SY002114, SY005092, DB-063395, CS-0368347, EN300-91955, 3-amino-9-methyl-9-azabicyclo[3.3.1]nonane, 3 -amino-9-methyl-9azabicyclo-[3.3.1]-nonane, 3-amino-9-methyl-9-azabicyclo-[3.3.1]-nonane, BETA-3-AMINO-9-METHYL-9-AZABICYCLO[3.3.1]NONANE, exo-3-Amino-9-methyl-9-azabicyclo[3 pound not3 pound not1]nonane, endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine ( Granisetron Impurity E), endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine (Granisetron Impurity E) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC(C1)C2 |
| Np Classifier Class | Tropane alkaloids |
| Deep Smiles | NCCCCCCCC8)N6C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CC2CCCC(C1)N2 |
| Classyfire Subclass | Aminopiperidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methyl-9-azabicyclo[3.3.1]nonan-3-amine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18N2 |
| Scaffold Graph Node Bond Level | C1CC2CCCC(C1)N2 |
| Inchi Key | HTZWHTQVHWHSHN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 9-methyl-9-azabicyclononan-3-one (granatan-3-one) |
| Esol Class | Very soluble |
| Functional Groups | CN, CN(C)C |
| Compound Name | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine |
| Exact Mass | 154.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| 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/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3 |
| Smiles | CN1C2CCCC1CC(C2)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Reference:ISBN:9788171360536