3-methyl-3-azoniabicyclo[3.2.2]nonane iodide

C9H18IN — CID 14521

IUPAC3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
SMILESC[NH+]1CC2CCC(CC2)C1.[I-]
InChIInChI=1S/C9H17N.HI/c1-10-6-8-2-3-9(7-10)5-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyWGSFARVDONHNPD-UHFFFAOYSA-N
MW267.15 g/mol
LogP-2.67
Rot. Bonds

About 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide

3-methyl-3-azoniabicyclo[3.2.2]nonane iodide (PubChem CID 14521) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide.

Molecular Properties

Compound Name3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
PubChem CID14521
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
SMILESC[NH+]1CC2CCC(CC2)C1.[I-]
InChIInChI=1S/C9H17N.HI/c1-10-6-8-2-3-9(7-10)5-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyWGSFARVDONHNPD-UHFFFAOYSA-N
XLogP-2.67
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide?
The IUPAC name of 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide (CID 14521) is 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide.
What is the SMILES notation for 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide?
The canonical SMILES for 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide is C[NH+]1CC2CCC(CC2)C1.[I-].
What is the InChIKey of 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide?
The InChIKey is WGSFARVDONHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.HI/c1-10-6-8-2-3-9(7-10)5-4-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide?
3-methyl-3-azoniabicyclo[3.2.2]nonane iodide has a molecular weight of 267.15 g/mol, XLogP of -2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azoniabicyclo[3.2.2]nonane iodide is sourced from PubChem (CID 14521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).