11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane

C12H23NO — CID 79320440

IUPAC11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)C1CNCCC12CCOCC2
InChIInChI=1S/C12H23NO/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJDRZZELGXYECEP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds1

About 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane

11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79320440) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79320440
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)C1CNCCC12CCOCC2
InChIInChI=1S/C12H23NO/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJDRZZELGXYECEP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-propan-2-yl-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 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane (CID 79320440) is 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane is CC(C)C1CNCCC12CCOCC2.
What is the InChIKey of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is JDRZZELGXYECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane?
11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79320440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).