2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane

C8H16N2 — CID 14344576

IUPAC2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane
SMILESCC1CN2CCN1CC2C
InChIInChI=1S/C8H16N2/c1-7-5-10-4-3-9(7)6-8(10)2/h7-8H,3-6H2,1-2H3
InChIKeyQRVMMTBISVKMBO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.39
Rot. Bonds

About 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane

2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane (PubChem CID 14344576) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane
PubChem CID14344576
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane
SMILESCC1CN2CCN1CC2C
InChIInChI=1S/C8H16N2/c1-7-5-10-4-3-9(7)6-8(10)2/h7-8H,3-6H2,1-2H3
InChIKeyQRVMMTBISVKMBO-UHFFFAOYSA-N
XLogP0.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane (CID 14344576) is 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane is CC1CN2CCN1CC2C.
What is the InChIKey of 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane?
The InChIKey is QRVMMTBISVKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-5-10-4-3-9(7)6-8(10)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane?
2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane has a molecular weight of 140.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 14344576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).