10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

C11H22N2O — CID 598001

IUPAC10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CC2(CCO1)CNCCN2
InChIInChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3
InChIKeyROHPOJQPAAMVIN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds1

About 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 598001) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID598001
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CC2(CCO1)CNCCN2
InChIInChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3
InChIKeyROHPOJQPAAMVIN-UHFFFAOYSA-N
XLogP0.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (CID 598001) is 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is CCC1(C)CC2(CCO1)CNCCN2.
What is the InChIKey of 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is ROHPOJQPAAMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 598001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).