2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol

C13H25NO2 — CID 104549348

IUPAC2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol
SMILESOCCOCCN1CC2(CCCCCC2)C1
InChIInChI=1S/C13H25NO2/c15-8-10-16-9-7-14-11-13(12-14)5-3-1-2-4-6-13/h15H,1-12H2
InChIKeyJBFZRJHZAITVJO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds5

About 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol

2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol (PubChem CID 104549348) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol
PubChem CID104549348
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol
SMILESOCCOCCN1CC2(CCCCCC2)C1
InChIInChI=1S/C13H25NO2/c15-8-10-16-9-7-14-11-13(12-14)5-3-1-2-4-6-13/h15H,1-12H2
InChIKeyJBFZRJHZAITVJO-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol 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 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol (CID 104549348) is 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol is OCCOCCN1CC2(CCCCCC2)C1.
What is the InChIKey of 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol?
The InChIKey is JBFZRJHZAITVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-8-10-16-9-7-14-11-13(12-14)5-3-1-2-4-6-13/h15H,1-12H2.
What are the key properties of 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol?
2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol is sourced from PubChem (CID 104549348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).