3-ethyl-1-oxa-4-azaspiro[4.5]decane

C10H19NO — CID 12668045

IUPAC3-ethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCCCC2)N1
InChIInChI=1S/C10H19NO/c1-2-9-8-12-10(11-9)6-4-3-5-7-10/h9,11H,2-8H2,1H3
InChIKeyDTEXNLYMUZWBSI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds1

About 3-ethyl-1-oxa-4-azaspiro[4.5]decane

3-ethyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 12668045) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID12668045
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCCCC2)N1
InChIInChI=1S/C10H19NO/c1-2-9-8-12-10(11-9)6-4-3-5-7-10/h9,11H,2-8H2,1H3
InChIKeyDTEXNLYMUZWBSI-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-1-oxa-4-azaspiro[4.5]decane (CID 12668045) is 3-ethyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-1-oxa-4-azaspiro[4.5]decane is CCC1COC2(CCCCC2)N1.
What is the InChIKey of 3-ethyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is DTEXNLYMUZWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9-8-12-10(11-9)6-4-3-5-7-10/h9,11H,2-8H2,1H3.
What are the key properties of 3-ethyl-1-oxa-4-azaspiro[4.5]decane?
3-ethyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 169.27 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 3-ethyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 12668045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).