3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C10H19NO3 — CID 66392136

IUPAC3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOC(CN1CC2CCC(C1)O2)OC
InChIInChI=1S/C10H19NO3/c1-12-10(13-2)7-11-5-8-3-4-9(6-11)14-8/h8-10H,3-7H2,1-2H3
InChIKeyZPILFLFYSPBWJS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.47
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66392136) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66392136
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOC(CN1CC2CCC(C1)O2)OC
InChIInChI=1S/C10H19NO3/c1-12-10(13-2)7-11-5-8-3-4-9(6-11)14-8/h8-10H,3-7H2,1-2H3
InChIKeyZPILFLFYSPBWJS-UHFFFAOYSA-N
XLogP0.47
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[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-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66392136) is 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is COC(CN1CC2CCC(C1)O2)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is ZPILFLFYSPBWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-12-10(13-2)7-11-5-8-3-4-9(6-11)14-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 201.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66392136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).