3,3-diethyl-1-oxa-4-azaspiro[4.5]decane

C12H23NO — CID 91932524

IUPAC3,3-diethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1(CC)COC2(CCCCC2)N1
InChIInChI=1S/C12H23NO/c1-3-11(4-2)10-14-12(13-11)8-6-5-7-9-12/h13H,3-10H2,1-2H3
InChIKeyRCKONRXTBCLVJR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.83
Rot. Bonds2

About 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane

3,3-diethyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 91932524) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-diethyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID91932524
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,3-diethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1(CC)COC2(CCCCC2)N1
InChIInChI=1S/C12H23NO/c1-3-11(4-2)10-14-12(13-11)8-6-5-7-9-12/h13H,3-10H2,1-2H3
InChIKeyRCKONRXTBCLVJR-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane (CID 91932524) is 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane is CCC1(CC)COC2(CCCCC2)N1.
What is the InChIKey of 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is RCKONRXTBCLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11(4-2)10-14-12(13-11)8-6-5-7-9-12/h13H,3-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane?
3,3-diethyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 91932524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).