9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane

C13H25NO — CID 58101670

IUPAC9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane
SMILESCOCC1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C13H25NO/c1-14-9-7-13(8-10-14)5-3-12(4-6-13)11-15-2/h12H,3-11H2,1-2H3
InChIKeyJOPQEKXIVXIVKL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.54
Rot. Bonds2

About 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane

9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane (PubChem CID 58101670) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane
PubChem CID58101670
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane
SMILESCOCC1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C13H25NO/c1-14-9-7-13(8-10-14)5-3-12(4-6-13)11-15-2/h12H,3-11H2,1-2H3
InChIKeyJOPQEKXIVXIVKL-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane (CID 58101670) is 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane is COCC1CCC2(CC1)CCN(C)CC2.
What is the InChIKey of 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane?
The InChIKey is JOPQEKXIVXIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-9-7-13(8-10-14)5-3-12(4-6-13)11-15-2/h12H,3-11H2,1-2H3.
What are the key properties of 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane?
9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane has a molecular weight of 211.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 58101670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).