2-azabicyclo[2.1.1]hexane

C5H9N — CID 22101702

IUPAC2-azabicyclo[2.1.1]hexane
SMILESC1NC2CC1C2
InChIInChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2
InChIKeyHAHYXYKFMHJMIE-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.37
Rot. Bonds

About 2-azabicyclo[2.1.1]hexane

2-azabicyclo[2.1.1]hexane (PubChem CID 22101702) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexane
PubChem CID22101702
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-azabicyclo[2.1.1]hexane
SMILESC1NC2CC1C2
InChIInChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2
InChIKeyHAHYXYKFMHJMIE-UHFFFAOYSA-N
XLogP0.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.37
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?
The IUPAC name of 2-azabicyclo[2.1.1]hexane (CID 22101702) is 2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 2-azabicyclo[2.1.1]hexane is C1NC2CC1C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexane?
The InChIKey is HAHYXYKFMHJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2.
What are the key properties of 2-azabicyclo[2.1.1]hexane?
2-azabicyclo[2.1.1]hexane has a molecular weight of 83.13 g/mol, XLogP of 0.37, 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 is sourced from PubChem (CID 22101702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).