3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane

C10H18N2O — CID 90414014

IUPAC3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC(N2CC3CCC(C2)N3)CO1
InChIInChI=1S/C10H18N2O/c1-2-9-6-12(5-8(1)11-9)10-3-4-13-7-10/h8-11H,1-7H2
InChIKeyCFNIARBJIAZIBV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.21
Rot. Bonds1

About 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane

3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 90414014) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID90414014
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC(N2CC3CCC(C2)N3)CO1
InChIInChI=1S/C10H18N2O/c1-2-9-6-12(5-8(1)11-9)10-3-4-13-7-10/h8-11H,1-7H2
InChIKeyCFNIARBJIAZIBV-UHFFFAOYSA-N
XLogP0.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]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 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane (CID 90414014) is 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane is C1CC(N2CC3CCC(C2)N3)CO1.
What is the InChIKey of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is CFNIARBJIAZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-9-6-12(5-8(1)11-9)10-3-4-13-7-10/h8-11H,1-7H2.
What are the key properties of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 182.27 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 90414014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).