4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

C12H23NO — CID 127377825

IUPAC4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)13-8-9-14-12(10-13)6-4-3-5-7-12/h11H,3-10H2,1-2H3
InChIKeyLQSUVJZNXIJMJY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds1

About 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 127377825) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID127377825
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)13-8-9-14-12(10-13)6-4-3-5-7-12/h11H,3-10H2,1-2H3
InChIKeyLQSUVJZNXIJMJY-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2845392
4-(3-Methylcyclohexyl)morpholine
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cis-(1R,2R)-1-methyl-2-morpholin-4-ylcyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (CID 127377825) is 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is CC(C)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is LQSUVJZNXIJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)13-8-9-14-12(10-13)6-4-3-5-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 127377825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).