2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol

C15H29NO3 — CID 102848082

IUPAC2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESCOCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO3/c1-18-12-10-16(9-11-17)13-14-5-8-15(19-14)6-3-2-4-7-15/h14,17H,2-13H2,1H3
InChIKeyCESAGULBAOODRM-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.81
Rot. Bonds7

About 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol

2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (PubChem CID 102848082) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
PubChem CID102848082
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESCOCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO3/c1-18-12-10-16(9-11-17)13-14-5-8-15(19-14)6-3-2-4-7-15/h14,17H,2-13H2,1H3
InChIKeyCESAGULBAOODRM-UHFFFAOYSA-N
XLogP1.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (CID 102848082) is 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol is COCCN(CCO)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The InChIKey is CESAGULBAOODRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-18-12-10-16(9-11-17)13-14-5-8-15(19-14)6-3-2-4-7-15/h14,17H,2-13H2,1H3.
What are the key properties of 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol has a molecular weight of 271.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102848082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).