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

C15H29NO — CID 65122254

IUPAC9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CNCC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO/c1-5-13-10-16-11-15(17-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyNVIAXIWLPCFNIY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds1

About 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane

9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65122254) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65122254
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CNCC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO/c1-5-13-10-16-11-15(17-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyNVIAXIWLPCFNIY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane (CID 65122254) is 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane is CCC1CNCC2(CCC(C(C)(C)C)CC2)O1.
What is the InChIKey of 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is NVIAXIWLPCFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-13-10-16-11-15(17-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane?
9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65122254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).