8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

C10H19NO2 — CID 170082072

IUPAC8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCCCN1C2CCC1COC2
InChIInChI=1S/C10H19NO2/c1-12-6-2-5-11-9-3-4-10(11)8-13-7-9/h9-10H,2-8H2,1H3
InChIKeyAPKTUXWFMZPOLF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.89
Rot. Bonds4

About 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170082072) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170082072
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCCCN1C2CCC1COC2
InChIInChI=1S/C10H19NO2/c1-12-6-2-5-11-9-3-4-10(11)8-13-7-9/h9-10H,2-8H2,1H3
InChIKeyAPKTUXWFMZPOLF-UHFFFAOYSA-N
XLogP0.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(3-methoxypropyl)-3-oxa-8-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 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 170082072) is 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is COCCCN1C2CCC1COC2.
What is the InChIKey of 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is APKTUXWFMZPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-6-2-5-11-9-3-4-10(11)8-13-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 185.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170082072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).