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

C14H27NO2 — CID 102900028

IUPAC2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO2/c1-2-9-15(10-11-16)12-13-5-8-14(17-13)6-3-4-7-14/h13,16H,2-12H2,1H3
InChIKeyLUIXOQJUFMOORS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.18
Rot. Bonds6

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

2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol (PubChem CID 102900028) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol
PubChem CID102900028
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO2/c1-2-9-15(10-11-16)12-13-5-8-14(17-13)6-3-4-7-14/h13,16H,2-12H2,1H3
InChIKeyLUIXOQJUFMOORS-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol (CID 102900028) is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol is CCCN(CCO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol?
The InChIKey is LUIXOQJUFMOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-9-15(10-11-16)12-13-5-8-14(17-13)6-3-4-7-14/h13,16H,2-12H2,1H3.
What are the key properties of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol?
2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol has a molecular weight of 241.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 102900028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).