1-azabicyclo[2.2.2]octane;hydrochloride

C7H14ClN — CID 520969

IUPAC1-azabicyclo[2.2.2]octane;hydrochloride
SMILESC1CN2CCC1CC2.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
LogP1.52
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;hydrochloride

1-azabicyclo[2.2.2]octane;hydrochloride (PubChem CID 520969) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;hydrochloride
PubChem CID520969
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-azabicyclo[2.2.2]octane;hydrochloride
SMILESC1CN2CCC1CC2.Cl
InChIInChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyBZLBBZLOMXKMTA-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octane;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octane;hydrochloride (CID 520969) is 1-azabicyclo[2.2.2]octane;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;hydrochloride is C1CN2CCC1CC2.Cl.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;hydrochloride?
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-azabicyclo[2.2.2]octane;hydrochloride?
1-azabicyclo[2.2.2]octane;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;hydrochloride is sourced from PubChem (CID 520969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).