2-azabicyclo[2.1.1]hexane;hydrochloride

C5H10ClN — CID 55219746

IUPAC2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESC1NC2CC1C2.Cl
InChIInChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H
InChIKeyILHPSPUYHFANIX-UHFFFAOYSA-N
MW119.59 g/mol
LogP0.79
Rot. Bonds

About 2-azabicyclo[2.1.1]hexane;hydrochloride

2-azabicyclo[2.1.1]hexane;hydrochloride (PubChem CID 55219746) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexane;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexane;hydrochloride
PubChem CID55219746
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESC1NC2CC1C2.Cl
InChIInChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H
InChIKeyILHPSPUYHFANIX-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexane;hydrochloride?
The IUPAC name of 2-azabicyclo[2.1.1]hexane;hydrochloride (CID 55219746) is 2-azabicyclo[2.1.1]hexane;hydrochloride.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexane;hydrochloride?
The canonical SMILES for 2-azabicyclo[2.1.1]hexane;hydrochloride is C1NC2CC1C2.Cl.
What is the InChIKey of 2-azabicyclo[2.1.1]hexane;hydrochloride?
The InChIKey is ILHPSPUYHFANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H.
What are the key properties of 2-azabicyclo[2.1.1]hexane;hydrochloride?
2-azabicyclo[2.1.1]hexane;hydrochloride has a molecular weight of 119.59 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexane;hydrochloride is sourced from PubChem (CID 55219746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).