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

C10H19NO2 — CID 90160106

IUPAC3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCOCCN1CC2CCC(C1)O2
InChIInChI=1S/C10H19NO2/c1-2-12-6-5-11-7-9-3-4-10(8-11)13-9/h9-10H,2-8H2,1H3
InChIKeyMADARXAOTVMSKI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.89
Rot. Bonds4

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

3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 90160106) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID90160106
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCOCCN1CC2CCC(C1)O2
InChIInChI=1S/C10H19NO2/c1-2-12-6-5-11-7-9-3-4-10(8-11)13-9/h9-10H,2-8H2,1H3
InChIKeyMADARXAOTVMSKI-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 90160106) is 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is CCOCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is MADARXAOTVMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-12-6-5-11-7-9-3-4-10(8-11)13-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-ethoxyethyl)-8-oxa-3-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 3-(2-ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90160106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).