3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane

C15H29NO — CID 159279772

IUPAC3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)(C)CCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C15H29NO/c1-14(2,3)6-4-13-5-7-15(12-17-13)8-10-16-11-9-15/h13,16H,4-12H2,1-3H3
InChIKeyKYTNXTHMLSYZMY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane

3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane (PubChem CID 159279772) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane
PubChem CID159279772
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)(C)CCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C15H29NO/c1-14(2,3)6-4-13-5-7-15(12-17-13)8-10-16-11-9-15/h13,16H,4-12H2,1-3H3
InChIKeyKYTNXTHMLSYZMY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane (CID 159279772) is 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane is CC(C)(C)CCC1CCC2(CCNCC2)CO1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane?
The InChIKey is KYTNXTHMLSYZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)6-4-13-5-7-15(12-17-13)8-10-16-11-9-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane?
3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-2-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 159279772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).