2-azabicyclo[2.2.2]octan-4-amine;hydrochloride

C7H15ClN2 — CID 154703077

IUPAC2-azabicyclo[2.2.2]octan-4-amine;hydrochloride
SMILESCl.NC12CCC(CC1)NC2
InChIInChI=1S/C7H14N2.ClH/c8-7-3-1-6(2-4-7)9-5-7;/h6,9H,1-5,8H2;1H
InChIKeyLYJNJTZAPQGINW-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.65
Rot. Bonds

About 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride

2-azabicyclo[2.2.2]octan-4-amine;hydrochloride (PubChem CID 154703077) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]octan-4-amine;hydrochloride
PubChem CID154703077
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2-azabicyclo[2.2.2]octan-4-amine;hydrochloride
SMILESCl.NC12CCC(CC1)NC2
InChIInChI=1S/C7H14N2.ClH/c8-7-3-1-6(2-4-7)9-5-7;/h6,9H,1-5,8H2;1H
InChIKeyLYJNJTZAPQGINW-UHFFFAOYSA-N
XLogP0.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-azabicyclo[2.2.2]octane
CID 123620881
[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol
CID 155904518
bicyclo[2.2.2]octan-1-amine
CID 550214
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
6-methyl-5-azaspiro[2.5]octane;hydrochloride
CID 178127379
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
4,4-dimethyl-2-azabicyclo[3.1.1]heptane
CID 143639105
(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 98051800
(5-ethyl-5-methylpiperidin-2-yl)methanamine
CID 165439097
[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine
CID 134220098

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride?
The IUPAC name of 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride (CID 154703077) is 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride.
What is the SMILES notation for 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride?
The canonical SMILES for 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride is Cl.NC12CCC(CC1)NC2.
What is the InChIKey of 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride?
The InChIKey is LYJNJTZAPQGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c8-7-3-1-6(2-4-7)9-5-7;/h6,9H,1-5,8H2;1H.
What are the key properties of 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride?
2-azabicyclo[2.2.2]octan-4-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.2]octan-4-amine;hydrochloride is sourced from PubChem (CID 154703077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).