2,2-diethyl-3-oxa-1-azaspiro[4.5]decane

C12H23NO — CID 138970660

IUPAC2,2-diethyl-3-oxa-1-azaspiro[4.5]decane
SMILESCCC1(CC)NC2(CCCCC2)CO1
InChIInChI=1S/C12H23NO/c1-3-12(4-2)13-11(10-14-12)8-6-5-7-9-11/h13H,3-10H2,1-2H3
InChIKeyJRNMXTYBANDOFD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.83
Rot. Bonds2

About 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane

2,2-diethyl-3-oxa-1-azaspiro[4.5]decane (PubChem CID 138970660) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,2-diethyl-3-oxa-1-azaspiro[4.5]decane
PubChem CID138970660
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-diethyl-3-oxa-1-azaspiro[4.5]decane
SMILESCCC1(CC)NC2(CCCCC2)CO1
InChIInChI=1S/C12H23NO/c1-3-12(4-2)13-11(10-14-12)8-6-5-7-9-11/h13H,3-10H2,1-2H3
InChIKeyJRNMXTYBANDOFD-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 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane?
The IUPAC name of 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane (CID 138970660) is 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane is CCC1(CC)NC2(CCCCC2)CO1.
What is the InChIKey of 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane?
The InChIKey is JRNMXTYBANDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(4-2)13-11(10-14-12)8-6-5-7-9-11/h13H,3-10H2,1-2H3.
What are the key properties of 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane?
2,2-diethyl-3-oxa-1-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 2,2-diethyl-3-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 138970660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).