9-methoxy-3-methyl-3-azaspiro[5.5]undecane

C12H23NO — CID 58101626

IUPAC9-methoxy-3-methyl-3-azaspiro[5.5]undecane
SMILESCOC1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C12H23NO/c1-13-9-7-12(8-10-13)5-3-11(14-2)4-6-12/h11H,3-10H2,1-2H3
InChIKeyBCUBUULDWJLIGE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About 9-methoxy-3-methyl-3-azaspiro[5.5]undecane

9-methoxy-3-methyl-3-azaspiro[5.5]undecane (PubChem CID 58101626) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-methoxy-3-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methoxy-3-methyl-3-azaspiro[5.5]undecane
PubChem CID58101626
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-methoxy-3-methyl-3-azaspiro[5.5]undecane
SMILESCOC1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C12H23NO/c1-13-9-7-12(8-10-13)5-3-11(14-2)4-6-12/h11H,3-10H2,1-2H3
InChIKeyBCUBUULDWJLIGE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-methoxy-3-methyl-3-azaspiro[5.5]undecane (CID 58101626) is 9-methoxy-3-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-methoxy-3-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-methoxy-3-methyl-3-azaspiro[5.5]undecane is COC1CCC2(CC1)CCN(C)CC2.
What is the InChIKey of 9-methoxy-3-methyl-3-azaspiro[5.5]undecane?
The InChIKey is BCUBUULDWJLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13-9-7-12(8-10-13)5-3-11(14-2)4-6-12/h11H,3-10H2,1-2H3.
What are the key properties of 9-methoxy-3-methyl-3-azaspiro[5.5]undecane?
9-methoxy-3-methyl-3-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 58101626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).