2-azabicyclo[2.2.2]octane;ethane

C11H25N — CID 176988087

IUPAC2-azabicyclo[2.2.2]octane;ethane
SMILESC1CC2CCC1CN2.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-3-7-4-2-6(1)5-8-7;2*1-2/h6-8H,1-5H2;2*1-2H3
InChIKeyADQCGADGGWWIQS-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds

About 2-azabicyclo[2.2.2]octane;ethane

2-azabicyclo[2.2.2]octane;ethane (PubChem CID 176988087) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octane;ethane.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]octane;ethane
PubChem CID176988087
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-azabicyclo[2.2.2]octane;ethane
SMILESC1CC2CCC1CN2.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-3-7-4-2-6(1)5-8-7;2*1-2/h6-8H,1-5H2;2*1-2H3
InChIKeyADQCGADGGWWIQS-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octane;ethane?
The IUPAC name of 2-azabicyclo[2.2.2]octane;ethane (CID 176988087) is 2-azabicyclo[2.2.2]octane;ethane.
What is the SMILES notation for 2-azabicyclo[2.2.2]octane;ethane?
The canonical SMILES for 2-azabicyclo[2.2.2]octane;ethane is C1CC2CCC1CN2.CC.CC.
What is the InChIKey of 2-azabicyclo[2.2.2]octane;ethane?
The InChIKey is ADQCGADGGWWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-3-7-4-2-6(1)5-8-7;2*1-2/h6-8H,1-5H2;2*1-2H3.
What are the key properties of 2-azabicyclo[2.2.2]octane;ethane?
2-azabicyclo[2.2.2]octane;ethane has a molecular weight of 171.33 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.2]octane;ethane is sourced from PubChem (CID 176988087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).