2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol

C12H27NO4 — CID 176937232

IUPAC2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol
SMILESCOC(CCCCCN(CCO)CCO)OC
InChIInChI=1S/C12H27NO4/c1-16-12(17-2)6-4-3-5-7-13(8-10-14)9-11-15/h12,14-15H,3-11H2,1-2H3
InChIKeyPXOGUASKWDROKW-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.45
Rot. Bonds12

About 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol

2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol (PubChem CID 176937232) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol
PubChem CID176937232
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol
SMILESCOC(CCCCCN(CCO)CCO)OC
InChIInChI=1S/C12H27NO4/c1-16-12(17-2)6-4-3-5-7-13(8-10-14)9-11-15/h12,14-15H,3-11H2,1-2H3
InChIKeyPXOGUASKWDROKW-UHFFFAOYSA-N
XLogP0.45
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4,4-dimethoxybutyl-[3-(trimethoxy-λ4-sulfanyl)propyl]amino]ethanol
CID 142552141
12,12-dimethoxydodecan-1-ol
CID 71412944
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 11510944
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
CID 66222761
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073

Frequently Asked Questions

What is the IUPAC name of 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol (CID 176937232) is 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol is COC(CCCCCN(CCO)CCO)OC.
What is the InChIKey of 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is PXOGUASKWDROKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-16-12(17-2)6-4-3-5-7-13(8-10-14)9-11-15/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol?
2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 249.35 g/mol, XLogP of 0.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 176937232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).