1-azoniabicyclo[2.2.2]octane iodide

C7H14IN — CID 69290747

IUPAC1-azoniabicyclo[2.2.2]octane iodide
SMILESC1C[NH+]2CCC1CC2.[I-]
InChIInChI=1S/C7H13N.HI/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyLYHPZBKXSHVBDW-UHFFFAOYSA-N
MW239.10 g/mol
LogP-3.31
Rot. Bonds

About 1-azoniabicyclo[2.2.2]octane iodide

1-azoniabicyclo[2.2.2]octane iodide (PubChem CID 69290747) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is 1-azoniabicyclo[2.2.2]octane iodide.

Molecular Properties

Compound Name1-azoniabicyclo[2.2.2]octane iodide
PubChem CID69290747
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name1-azoniabicyclo[2.2.2]octane iodide
SMILESC1C[NH+]2CCC1CC2.[I-]
InChIInChI=1S/C7H13N.HI/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyLYHPZBKXSHVBDW-UHFFFAOYSA-N
XLogP-3.31
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Quinuclidine
CID 7527
1-Azoniabicyclo[2.2.2]octane chloride
CID 67124859
1-Azoniabicyclo[2.2.2]octane
CID 6989231
Quinuclidinium fluoride
CID 22906694
1-Azabicyclo[2.2.2]octan-2-amine
CID 18926968
Azoniabicyclo[2.2.2]octane bromide
CID 66608461
Quinuclidinium perrhenate
CID 129891851
1-Azoniabicyclo[2.2.2]octane chloride
CID 12698390
3-Deuterio-1-azabicyclo[2.2.2]octane
CID 122130521
CID 134967311
CID 134967311
(2S)-1-azabicyclo[2.2.2]octan-2-amine
CID 10942426
1-Azoniabicyclo[2.2.2]octane dichloride
CID 12698389

Frequently Asked Questions

What is the IUPAC name of 1-azoniabicyclo[2.2.2]octane iodide?
The IUPAC name of 1-azoniabicyclo[2.2.2]octane iodide (CID 69290747) is 1-azoniabicyclo[2.2.2]octane iodide.
What is the SMILES notation for 1-azoniabicyclo[2.2.2]octane iodide?
The canonical SMILES for 1-azoniabicyclo[2.2.2]octane iodide is C1C[NH+]2CCC1CC2.[I-].
What is the InChIKey of 1-azoniabicyclo[2.2.2]octane iodide?
The InChIKey is LYHPZBKXSHVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.HI/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H.
What are the key properties of 1-azoniabicyclo[2.2.2]octane iodide?
1-azoniabicyclo[2.2.2]octane iodide has a molecular weight of 239.10 g/mol, XLogP of -3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniabicyclo[2.2.2]octane iodide is sourced from PubChem (CID 69290747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).