3-Azoniabicyclo(3.2.1)octane, 1,3,3,8,8-pentamethyl-, iodide

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Basic information

CAS: 941-14-0
Standard SMILES: CC12CCC(C[N+](C)(C)C1)C2(C)C.[I-]
InChIKey: WTCYLTWABCZDFF-UHFFFAOYSA-M
Molecular formula: C12H24IN
Average molar mass: 309.23 g/mol
Monoisotopic mass: 309.09535

Names & identifiers

Preferred name: 3-Azoniabicyclo(3.2.1)octane, 1,3,3,8,8-pentamethyl-, iodide
IUPAC: 1,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane iodide

Names & synonyms

1,3,3,8,8-Pentamethyl-3-azoniabicyclo(3.2.1)octane iodide941-14-03-AZONIABICYCLO(3.2.1)OCTANE, 1,3,3,8,8-PENTAMETHYL-, IODIDERefChem:276852MLS000727748SMR0003064451,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octaneCHEMBL1701371DTXSID609164961,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane;iodideHMS2672I141,3,3,8,8-Pentamethyl-3-azabicyclo[3.2.1]octan-3-ium iodide

Database identifiers

CAS: 941-14-0
PubChem CID: 13659
DTXSID: DTXSID60916496
ChEMBL: CHEMBL1701371

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Experimental & physicochemical properties

Solubility>46.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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