3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane

C10H19NO2 — CID 126710478

IUPAC3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1COC2(CCN(C)CC2)OC1
InChIInChI=1S/C10H19NO2/c1-9-7-12-10(13-8-9)3-5-11(2)6-4-10/h9H,3-8H2,1-2H3
InChIKeyNWAJCLCTYCABCP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds

About 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane

3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 126710478) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID126710478
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1COC2(CCN(C)CC2)OC1
InChIInChI=1S/C10H19NO2/c1-9-7-12-10(13-8-9)3-5-11(2)6-4-10/h9H,3-8H2,1-2H3
InChIKeyNWAJCLCTYCABCP-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 126710478) is 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane is CC1COC2(CCN(C)CC2)OC1.
What is the InChIKey of 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is NWAJCLCTYCABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-7-12-10(13-8-9)3-5-11(2)6-4-10/h9H,3-8H2,1-2H3.
What are the key properties of 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 185.27 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 126710478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).