TL;DR: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide (CAS 94601-22-6) is a chemical compound with molecular formula C10H21IN2 and molecular weight 296.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,9,9-trimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane iodide
Also Known As: 3,9,9-Trimethyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide, 3,9-Dimethyl-3,9-diazabicyclo(3,3,1)nonane methiodide, 3,9,9-trimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane iodide, 3-AZA-9-AZONIABICYCLO(3.3.1)NONANE, 3,9,9-TRIMETHYL-, IODIDE, 3,9,9-Trimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium iodide
| Molecular Formula | C10H21IN2 |
| Molecular Weight | 296.07495 g/mol |
| XLogP | -2.07 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.07495 Da |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
| SMILES | CN1CC2CCCC(C1)[N+]2(C)C.[I-] |
| InChIKey | KVUDQWNCPGLUQM-UHFFFAOYSA-M |
The XLogP value of -2.07 indicates that 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide is 94601-22-6.
The molecular formula of 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide is C10H21IN2.
The molecular weight of 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,9,9-trimethyl-, iodide is 296.07495 g/mol.
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