1,4-diazabicyclo[2.2.2]octane;oxolane

C10H20N2O — CID 141105414

IUPAC1,4-diazabicyclo[2.2.2]octane;oxolane
SMILESC1CCOC1.C1CN2CCN1CC2
InChIInChI=1S/C6H12N2.C4H8O/c1-2-8-5-3-7(1)4-6-8;1-2-4-5-3-1/h1-6H2;1-4H2
InChIKeyZUTDEIGDJAYSGN-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds

About 1,4-diazabicyclo[2.2.2]octane;oxolane

1,4-diazabicyclo[2.2.2]octane;oxolane (PubChem CID 141105414) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octane;oxolane.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octane;oxolane
PubChem CID141105414
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,4-diazabicyclo[2.2.2]octane;oxolane
SMILESC1CCOC1.C1CN2CCN1CC2
InChIInChI=1S/C6H12N2.C4H8O/c1-2-8-5-3-7(1)4-6-8;1-2-4-5-3-1/h1-6H2;1-4H2
InChIKeyZUTDEIGDJAYSGN-UHFFFAOYSA-N
XLogP0.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-diazabicyclo[2.2.2]octane;oxolane with MolForge

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

Launch Full Analysis

Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753
oxolane;titanium
CID 160710512
cyclohexane;oxane
CID 20574508
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octane;oxolane?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octane;oxolane (CID 141105414) is 1,4-diazabicyclo[2.2.2]octane;oxolane.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octane;oxolane?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octane;oxolane is C1CCOC1.C1CN2CCN1CC2.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octane;oxolane?
The InChIKey is ZUTDEIGDJAYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C4H8O/c1-2-8-5-3-7(1)4-6-8;1-2-4-5-3-1/h1-6H2;1-4H2.
What are the key properties of 1,4-diazabicyclo[2.2.2]octane;oxolane?
1,4-diazabicyclo[2.2.2]octane;oxolane has a molecular weight of 184.28 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octane;oxolane is sourced from PubChem (CID 141105414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).