2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol

C13H25NO2 — CID 104549402

IUPAC2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCCC(CC)(CO)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-13(4-2,11-15)14-9-12(10-14)5-7-16-8-6-12/h15H,3-11H2,1-2H3
InChIKeyCAFSLSGYOTVNKN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol

2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol (PubChem CID 104549402) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
PubChem CID104549402
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCCC(CC)(CO)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-13(4-2,11-15)14-9-12(10-14)5-7-16-8-6-12/h15H,3-11H2,1-2H3
InChIKeyCAFSLSGYOTVNKN-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The IUPAC name of 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol (CID 104549402) is 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol is CCC(CC)(CO)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The InChIKey is CAFSLSGYOTVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-13(4-2,11-15)14-9-12(10-14)5-7-16-8-6-12/h15H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol is sourced from PubChem (CID 104549402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).