5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane

C13H25NO3 — CID 75507361

IUPAC5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane
SMILESCCOC(CN1CCOCC12CCC2)OCC
InChIInChI=1S/C13H25NO3/c1-3-16-12(17-4-2)10-14-8-9-15-11-13(14)6-5-7-13/h12H,3-11H2,1-2H3
InChIKeyANTPIMMOYNQTDU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.64
Rot. Bonds6

About 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane

5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane (PubChem CID 75507361) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane
PubChem CID75507361
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane
SMILESCCOC(CN1CCOCC12CCC2)OCC
InChIInChI=1S/C13H25NO3/c1-3-16-12(17-4-2)10-14-8-9-15-11-13(14)6-5-7-13/h12H,3-11H2,1-2H3
InChIKeyANTPIMMOYNQTDU-UHFFFAOYSA-N
XLogP1.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane (CID 75507361) is 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane is CCOC(CN1CCOCC12CCC2)OCC.
What is the InChIKey of 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane?
The InChIKey is ANTPIMMOYNQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-16-12(17-4-2)10-14-8-9-15-11-13(14)6-5-7-13/h12H,3-11H2,1-2H3.
What are the key properties of 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane?
5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane has a molecular weight of 243.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethyl)-8-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 75507361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).