1-azabicyclo[2.2.2]octan-3-amine;hydrochloride

C7H15ClN2 — CID 18401282

IUPAC1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
SMILESCl.NC1CN2CCC1CC2
InChIInChI=1S/C7H14N2.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5,8H2;1H
InChIKeyKHAKFKRESWHJHB-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.46
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride

1-azabicyclo[2.2.2]octan-3-amine;hydrochloride (PubChem CID 18401282) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
PubChem CID18401282
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
SMILESCl.NC1CN2CCC1CC2
InChIInChI=1S/C7H14N2.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5,8H2;1H
InChIKeyKHAKFKRESWHJHB-UHFFFAOYSA-N
XLogP0.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride (CID 18401282) is 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride is Cl.NC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
The InChIKey is KHAKFKRESWHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5,8H2;1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride?
1-azabicyclo[2.2.2]octan-3-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-amine;hydrochloride is sourced from PubChem (CID 18401282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).