7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

C11H22N2O — CID 86820566

IUPAC7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCCNCC12CCOCC2
InChIInChI=1S/C11H22N2O/c1-2-13-7-3-6-12-10-11(13)4-8-14-9-5-11/h12H,2-10H2,1H3
InChIKeyKYSJGDXODWYQHB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane (PubChem CID 86820566) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
PubChem CID86820566
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCCNCC12CCOCC2
InChIInChI=1S/C11H22N2O/c1-2-13-7-3-6-12-10-11(13)4-8-14-9-5-11/h12H,2-10H2,1H3
InChIKeyKYSJGDXODWYQHB-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane (CID 86820566) is 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane is CCN1CCCNCC12CCOCC2.
What is the InChIKey of 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The InChIKey is KYSJGDXODWYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-13-7-3-6-12-10-11(13)4-8-14-9-5-11/h12H,2-10H2,1H3.
What are the key properties of 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 86820566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).