3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane

C10H19NO2 — CID 82655471

IUPAC3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
SMILESCC1(C)OCC2(CCNCC2)CO1
InChIInChI=1S/C10H19NO2/c1-9(2)12-7-10(8-13-9)3-5-11-6-4-10/h11H,3-8H2,1-2H3
InChIKeyLRHOCWVFJMXXDT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds

About 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane

3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane (PubChem CID 82655471) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
PubChem CID82655471
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
SMILESCC1(C)OCC2(CCNCC2)CO1
InChIInChI=1S/C10H19NO2/c1-9(2)12-7-10(8-13-9)3-5-11-6-4-10/h11H,3-8H2,1-2H3
InChIKeyLRHOCWVFJMXXDT-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane (CID 82655471) is 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane is CC1(C)OCC2(CCNCC2)CO1.
What is the InChIKey of 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is LRHOCWVFJMXXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)12-7-10(8-13-9)3-5-11-6-4-10/h11H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane?
3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 185.27 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 82655471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).