9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane

C12H24N2O2 — CID 15939294

IUPAC9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane
SMILESCCOCCN1CCC2(CC1)NCCCO2
InChIInChI=1S/C12H24N2O2/c1-2-15-11-9-14-7-4-12(5-8-14)13-6-3-10-16-12/h13H,2-11H2,1H3
InChIKeyWGVVCCUMWWZDLM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds4

About 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane

9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane (PubChem CID 15939294) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane
PubChem CID15939294
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane
SMILESCCOCCN1CCC2(CC1)NCCCO2
InChIInChI=1S/C12H24N2O2/c1-2-15-11-9-14-7-4-12(5-8-14)13-6-3-10-16-12/h13H,2-11H2,1H3
InChIKeyWGVVCCUMWWZDLM-UHFFFAOYSA-N
XLogP0.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane (CID 15939294) is 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane is CCOCCN1CCC2(CC1)NCCCO2.
What is the InChIKey of 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane?
The InChIKey is WGVVCCUMWWZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-15-11-9-14-7-4-12(5-8-14)13-6-3-10-16-12/h13H,2-11H2,1H3.
What are the key properties of 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane?
9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane has a molecular weight of 228.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxyethyl)-1-oxa-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 15939294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).