2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane

C12H23NO — CID 19995135

IUPAC2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1CC2(CCC(C)(C)O2)C(C)CN1
InChIInChI=1S/C12H23NO/c1-9-8-13-10(2)7-12(9)6-5-11(3,4)14-12/h9-10,13H,5-8H2,1-4H3
InChIKeyFQEABOJCVOUREH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds

About 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane

2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 19995135) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID19995135
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1CC2(CCC(C)(C)O2)C(C)CN1
InChIInChI=1S/C12H23NO/c1-9-8-13-10(2)7-12(9)6-5-11(3,4)14-12/h9-10,13H,5-8H2,1-4H3
InChIKeyFQEABOJCVOUREH-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane (CID 19995135) is 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane is CC1CC2(CCC(C)(C)O2)C(C)CN1.
What is the InChIKey of 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FQEABOJCVOUREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-8-13-10(2)7-12(9)6-5-11(3,4)14-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane?
2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,9-tetramethyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19995135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).