3-methyl-9-oxa-2-azaspiro[5.5]undecane

C10H19NO — CID 130118477

IUPAC3-methyl-9-oxa-2-azaspiro[5.5]undecane
SMILESCC1CCC2(CCOCC2)CN1
InChIInChI=1S/C10H19NO/c1-9-2-3-10(8-11-9)4-6-12-7-5-10/h9,11H,2-8H2,1H3
InChIKeyVSSAYBSQWGPJTP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds

About 3-methyl-9-oxa-2-azaspiro[5.5]undecane

3-methyl-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 130118477) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-9-oxa-2-azaspiro[5.5]undecane
PubChem CID130118477
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-9-oxa-2-azaspiro[5.5]undecane
SMILESCC1CCC2(CCOCC2)CN1
InChIInChI=1S/C10H19NO/c1-9-2-3-10(8-11-9)4-6-12-7-5-10/h9,11H,2-8H2,1H3
InChIKeyVSSAYBSQWGPJTP-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 3-methyl-9-oxa-2-azaspiro[5.5]undecane (CID 130118477) is 3-methyl-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-9-oxa-2-azaspiro[5.5]undecane is CC1CCC2(CCOCC2)CN1.
What is the InChIKey of 3-methyl-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is VSSAYBSQWGPJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-2-3-10(8-11-9)4-6-12-7-5-10/h9,11H,2-8H2,1H3.
What are the key properties of 3-methyl-9-oxa-2-azaspiro[5.5]undecane?
3-methyl-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 169.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 130118477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).