5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane

C15H29NO — CID 176736559

IUPAC5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CN(C(C)(C)C)CCC12COC2
InChIInChI=1S/C15H29NO/c1-13(2,3)12-9-16(14(4,5)6)8-7-15(12)10-17-11-15/h12H,7-11H2,1-6H3
InChIKeyXXXZUBJFHMBYPO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.17
Rot. Bonds

About 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane

5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 176736559) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID176736559
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CN(C(C)(C)C)CCC12COC2
InChIInChI=1S/C15H29NO/c1-13(2,3)12-9-16(14(4,5)6)8-7-15(12)10-17-11-15/h12H,7-11H2,1-6H3
InChIKeyXXXZUBJFHMBYPO-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane (CID 176736559) is 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane is CC(C)(C)C1CN(C(C)(C)C)CCC12COC2.
What is the InChIKey of 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is XXXZUBJFHMBYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2,3)12-9-16(14(4,5)6)8-7-15(12)10-17-11-15/h12H,7-11H2,1-6H3.
What are the key properties of 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane?
5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 239.40 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176736559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).