2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane

C13H25NO — CID 65103646

IUPAC2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CNCC2(CCCCC2)O1
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-14-10-13(15-11)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyUWTBBDODAICOOH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds

About 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane

2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103646) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103646
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CNCC2(CCCCC2)O1
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-14-10-13(15-11)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyUWTBBDODAICOOH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane (CID 65103646) is 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane is CC(C)(C)C1CNCC2(CCCCC2)O1.
What is the InChIKey of 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is UWTBBDODAICOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)11-9-14-10-13(15-11)7-5-4-6-8-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane?
2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 211.35 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).