2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

C13H25NO2 — CID 102900025

IUPAC2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESCCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO2/c1-2-14(9-10-15)11-12-5-8-13(16-12)6-3-4-7-13/h12,15H,2-11H2,1H3
InChIKeyIWFSURWXBJWHRG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.79
Rot. Bonds5

About 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 102900025) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID102900025
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESCCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO2/c1-2-14(9-10-15)11-12-5-8-13(16-12)6-3-4-7-13/h12,15H,2-11H2,1H3
InChIKeyIWFSURWXBJWHRG-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 102900025) is 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is CCN(CCO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is IWFSURWXBJWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14(9-10-15)11-12-5-8-13(16-12)6-3-4-7-13/h12,15H,2-11H2,1H3.
What are the key properties of 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102900025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).