7-methyl-2,5-diazabicyclo[2.2.2]octane

C7H14N2 — CID 170189003

IUPAC7-methyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC1CC2CNC1CN2
InChIInChI=1S/C7H14N2/c1-5-2-6-3-9-7(5)4-8-6/h5-9H,2-4H2,1H3
InChIKeySRVGCRWCMZEMHW-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.04
Rot. Bonds

About 7-methyl-2,5-diazabicyclo[2.2.2]octane

7-methyl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 170189003) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 7-methyl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name7-methyl-2,5-diazabicyclo[2.2.2]octane
PubChem CID170189003
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name7-methyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC1CC2CNC1CN2
InChIInChI=1S/C7H14N2/c1-5-2-6-3-9-7(5)4-8-6/h5-9H,2-4H2,1H3
InChIKeySRVGCRWCMZEMHW-UHFFFAOYSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2,5-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 7-methyl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 7-methyl-2,5-diazabicyclo[2.2.2]octane (CID 170189003) is 7-methyl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 7-methyl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 7-methyl-2,5-diazabicyclo[2.2.2]octane is CC1CC2CNC1CN2.
What is the InChIKey of 7-methyl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is SRVGCRWCMZEMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-2-6-3-9-7(5)4-8-6/h5-9H,2-4H2,1H3.
What are the key properties of 7-methyl-2,5-diazabicyclo[2.2.2]octane?
7-methyl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 126.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 170189003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).