3-Azabicyclo[3.2.2]nonane
PubChem CID: 9240
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| Compound Synonyms | 3-Azabicyclo[3.2.2]nonane, 283-24-9, 3-AZABICYCLO(3.2.2)NONANE, NSC 78443, BRN 0878218, AI3-26871, DTXSID7059771, 5-20-04-00370 (Beilstein Handbook Reference), NSC78443, MFCD00167979, SCHEMBL212630, 3-aza-bicyclo[3.2.2]nonane, SCHEMBL2388239, CHEMBL2079064, DTXCID9037795, 3-aza-bicyclo[3.2.2] nonane, 3-Aza-bicyclo-[3.2.2]nonane, NSC-78443, STK689059, AKOS005601271, AKOS006337412, (1s,5s)-3-azabicyclo[3.2.2]nonane, NCGC00340911-01, SY278854, DB-067919, CS-0054142, AB01332690-02, EN300-4324319, 3-Azabicyclo[3.2.2]nonane, hydrochloride (1:1) |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-azabicyclo[3.2.2]nonane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Is Pains | False |
| Molecular Formula | C8H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | LICHZOBEUWVYSY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3-Azabicyclo[3.2.2]nonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.12 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 125.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 125.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.429033 |
| Inchi | InChI=1S/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2 |
| Smiles | C1CC2CCC1CNC2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients