9-ethyl-1-oxa-5,6-diazacycloundecane

C10H22N2O — CID 146289726

IUPAC9-ethyl-1-oxa-5,6-diazacycloundecane
SMILESCCC1CCNNCCCOCC1
InChIInChI=1S/C10H22N2O/c1-2-10-4-7-12-11-6-3-8-13-9-5-10/h10-12H,2-9H2,1H3
InChIKeyOOYVKSLNPRPGGK-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.31
Rot. Bonds1

About 9-ethyl-1-oxa-5,6-diazacycloundecane

9-ethyl-1-oxa-5,6-diazacycloundecane (PubChem CID 146289726) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 9-ethyl-1-oxa-5,6-diazacycloundecane.

Molecular Properties

Compound Name9-ethyl-1-oxa-5,6-diazacycloundecane
PubChem CID146289726
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name9-ethyl-1-oxa-5,6-diazacycloundecane
SMILESCCC1CCNNCCCOCC1
InChIInChI=1S/C10H22N2O/c1-2-10-4-7-12-11-6-3-8-13-9-5-10/h10-12H,2-9H2,1H3
InChIKeyOOYVKSLNPRPGGK-UHFFFAOYSA-N
XLogP1.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-1-oxa-5,6-diazacycloundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-oxa-5,6-diazacycloundecane?
The IUPAC name of 9-ethyl-1-oxa-5,6-diazacycloundecane (CID 146289726) is 9-ethyl-1-oxa-5,6-diazacycloundecane.
What is the SMILES notation for 9-ethyl-1-oxa-5,6-diazacycloundecane?
The canonical SMILES for 9-ethyl-1-oxa-5,6-diazacycloundecane is CCC1CCNNCCCOCC1.
What is the InChIKey of 9-ethyl-1-oxa-5,6-diazacycloundecane?
The InChIKey is OOYVKSLNPRPGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-10-4-7-12-11-6-3-8-13-9-5-10/h10-12H,2-9H2,1H3.
What are the key properties of 9-ethyl-1-oxa-5,6-diazacycloundecane?
9-ethyl-1-oxa-5,6-diazacycloundecane has a molecular weight of 186.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-oxa-5,6-diazacycloundecane is sourced from PubChem (CID 146289726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).