1-ethyl-8-oxa-1-azaspiro[5.5]undecane

C11H21NO — CID 166896589

IUPAC1-ethyl-8-oxa-1-azaspiro[5.5]undecane
SMILESCCN1CCCCC12CCCOC2
InChIInChI=1S/C11H21NO/c1-2-12-8-4-3-6-11(12)7-5-9-13-10-11/h2-10H2,1H3
InChIKeyYBVAXZXBORQWKF-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds1

About 1-ethyl-8-oxa-1-azaspiro[5.5]undecane

1-ethyl-8-oxa-1-azaspiro[5.5]undecane (PubChem CID 166896589) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethyl-8-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-8-oxa-1-azaspiro[5.5]undecane
PubChem CID166896589
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethyl-8-oxa-1-azaspiro[5.5]undecane
SMILESCCN1CCCCC12CCCOC2
InChIInChI=1S/C11H21NO/c1-2-12-8-4-3-6-11(12)7-5-9-13-10-11/h2-10H2,1H3
InChIKeyYBVAXZXBORQWKF-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-8-oxa-1-azaspiro[5.5]undecane (CID 166896589) is 1-ethyl-8-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-8-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-8-oxa-1-azaspiro[5.5]undecane is CCN1CCCCC12CCCOC2.
What is the InChIKey of 1-ethyl-8-oxa-1-azaspiro[5.5]undecane?
The InChIKey is YBVAXZXBORQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-8-4-3-6-11(12)7-5-9-13-10-11/h2-10H2,1H3.
What are the key properties of 1-ethyl-8-oxa-1-azaspiro[5.5]undecane?
1-ethyl-8-oxa-1-azaspiro[5.5]undecane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 166896589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).