1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane

C12H23NO — CID 121013753

IUPAC1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCCN1CCOC(C)C12CCCCC2
InChIInChI=1S/C12H23NO/c1-3-13-9-10-14-11(2)12(13)7-5-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyQPOCFNKVFIEHNB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds1

About 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane

1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 121013753) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID121013753
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCCN1CCOC(C)C12CCCCC2
InChIInChI=1S/C12H23NO/c1-3-13-9-10-14-11(2)12(13)7-5-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyQPOCFNKVFIEHNB-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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4-Methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane (CID 121013753) is 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane is CCN1CCOC(C)C12CCCCC2.
What is the InChIKey of 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is QPOCFNKVFIEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-9-10-14-11(2)12(13)7-5-4-6-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane?
1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 121013753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).