2,6-dimethyl-1-azabicyclo[2.2.2]octane

C9H17N — CID 544800

IUPAC2,6-dimethyl-1-azabicyclo[2.2.2]octane
SMILESCC1CC2CCN1C(C)C2
InChIInChI=1S/C9H17N/c1-7-5-9-3-4-10(7)8(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyIMXCYDBCCRSUJB-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 2,6-dimethyl-1-azabicyclo[2.2.2]octane

2,6-dimethyl-1-azabicyclo[2.2.2]octane (PubChem CID 544800) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,6-dimethyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,6-dimethyl-1-azabicyclo[2.2.2]octane
PubChem CID544800
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,6-dimethyl-1-azabicyclo[2.2.2]octane
SMILESCC1CC2CCN1C(C)C2
InChIInChI=1S/C9H17N/c1-7-5-9-3-4-10(7)8(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyIMXCYDBCCRSUJB-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2,6-dimethyl-1-azabicyclo[2.2.2]octane (CID 544800) is 2,6-dimethyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2,6-dimethyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2,6-dimethyl-1-azabicyclo[2.2.2]octane is CC1CC2CCN1C(C)C2.
What is the InChIKey of 2,6-dimethyl-1-azabicyclo[2.2.2]octane?
The InChIKey is IMXCYDBCCRSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-9-3-4-10(7)8(2)6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-azabicyclo[2.2.2]octane?
2,6-dimethyl-1-azabicyclo[2.2.2]octane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 544800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).