1-azoniabicyclo[2.2.2]octane chloride

C7H14ClN — CID 12698390

IUPAC1-azoniabicyclo[2.2.2]octane chloride
SMILESC1C[NH+]2CCC1CC2.[Cl-]
InChIInChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyBZLBBZLOMXKMTA-UHFFFAOYSA-N
MW147.65 g/mol
LogP-3.31
Rot. Bonds

About 1-azoniabicyclo[2.2.2]octane chloride

1-azoniabicyclo[2.2.2]octane chloride (PubChem CID 12698390) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-azoniabicyclo[2.2.2]octane chloride.

Molecular Properties

Compound Name1-azoniabicyclo[2.2.2]octane chloride
PubChem CID12698390
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-azoniabicyclo[2.2.2]octane chloride
SMILESC1C[NH+]2CCC1CC2.[Cl-]
InChIInChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyBZLBBZLOMXKMTA-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 ≤ 500147.65
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Quinuclidine
CID 7527
Quinuclidine hydrochloride
CID 520969
1-Azabicyclo(2.2.2)octan-3-amine, hydrochloride (1:2)
CID 18401282
1-Azoniabicyclo[2.2.2]octane chloride
CID 67124859
(R)-quinuclidin-3-amine hydrochloride
CID 45157555
(S)-Quinuclidin-3-amine hydrochloride
CID 46911990
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 iodide
CID 69290747
Quinuclidinium perrhenate
CID 129891851

Frequently Asked Questions

What is the IUPAC name of 1-azoniabicyclo[2.2.2]octane chloride?
The IUPAC name of 1-azoniabicyclo[2.2.2]octane chloride (CID 12698390) is 1-azoniabicyclo[2.2.2]octane chloride.
What is the SMILES notation for 1-azoniabicyclo[2.2.2]octane chloride?
The canonical SMILES for 1-azoniabicyclo[2.2.2]octane chloride is C1C[NH+]2CCC1CC2.[Cl-].
What is the InChIKey of 1-azoniabicyclo[2.2.2]octane chloride?
The InChIKey is BZLBBZLOMXKMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/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 chloride?
1-azoniabicyclo[2.2.2]octane chloride has a molecular weight of 147.65 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 chloride is sourced from PubChem (CID 12698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).