2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane

C14H26N2 — CID 157150346

IUPAC2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CN2
InChIInChI=1S/2C7H13N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6/h2*6-8H,1-5H2
InChIKeyALEJLUVATKAOLI-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.44
Rot. Bonds

About 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane

2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane (PubChem CID 157150346) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
PubChem CID157150346
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CN2
InChIInChI=1S/2C7H13N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6/h2*6-8H,1-5H2
InChIKeyALEJLUVATKAOLI-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane (CID 157150346) is 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane is C1CC2CCC(C1)N2.C1CC2CCC1CN2.
What is the InChIKey of 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
The InChIKey is ALEJLUVATKAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N/c1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6/h2*6-8H,1-5H2.
What are the key properties of 2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane?
2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane has a molecular weight of 222.38 g/mol, XLogP of 2.44, 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]octane;8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157150346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).