4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane

C12H23NO — CID 79321378

IUPAC4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCCC1CC2(CCNCC2C)CCO1
InChIInChI=1S/C12H23NO/c1-3-11-8-12(5-7-14-11)4-6-13-9-10(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyUTLUMZKPHAOEEA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds1

About 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane

4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79321378) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79321378
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCCC1CC2(CCNCC2C)CCO1
InChIInChI=1S/C12H23NO/c1-3-11-8-12(5-7-14-11)4-6-13-9-10(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyUTLUMZKPHAOEEA-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane 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 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane (CID 79321378) is 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane is CCC1CC2(CCNCC2C)CCO1.
What is the InChIKey of 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is UTLUMZKPHAOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11-8-12(5-7-14-11)4-6-13-9-10(12)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane?
4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-11-methyl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79321378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).