2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol

C13H25NO4 — CID 113468045

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO4/c1-16-9-5-14(4-6-15)12-2-7-18-13(10-12)3-8-17-11-13/h12,15H,2-11H2,1H3
InChIKeyAASONURLNNENQL-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.27
Rot. Bonds6

About 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol

2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol (PubChem CID 113468045) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
PubChem CID113468045
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO4/c1-16-9-5-14(4-6-15)12-2-7-18-13(10-12)3-8-17-11-13/h12,15H,2-11H2,1H3
InChIKeyAASONURLNNENQL-UHFFFAOYSA-N
XLogP0.27
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
CID 79903333
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905733
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
CID 79655898
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79902214

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol (CID 113468045) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol is COCCN(CCO)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol?
The InChIKey is AASONURLNNENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-16-9-5-14(4-6-15)12-2-7-18-13(10-12)3-8-17-11-13/h12,15H,2-11H2,1H3.
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol?
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 113468045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).