4-methyl-2-azabicyclo[2.2.2]octane

C8H15N — CID 123620881

IUPAC4-methyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)NC2
InChIInChI=1S/C8H15N/c1-8-4-2-7(3-5-8)9-6-8/h7,9H,2-6H2,1H3
InChIKeyBENGIKSIPNEKBB-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About 4-methyl-2-azabicyclo[2.2.2]octane

4-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 123620881) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 4-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-methyl-2-azabicyclo[2.2.2]octane
PubChem CID123620881
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name4-methyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)NC2
InChIInChI=1S/C8H15N/c1-8-4-2-7(3-5-8)9-6-8/h7,9H,2-6H2,1H3
InChIKeyBENGIKSIPNEKBB-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 4-methyl-2-azabicyclo[2.2.2]octane (CID 123620881) is 4-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 4-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 4-methyl-2-azabicyclo[2.2.2]octane is CC12CCC(CC1)NC2.
What is the InChIKey of 4-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is BENGIKSIPNEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8-4-2-7(3-5-8)9-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 4-methyl-2-azabicyclo[2.2.2]octane?
4-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 125.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 123620881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).