ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol

C15H35NO2 — CID 156751317

IUPACethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
SMILESCC.CCCCCCCCN(C)CCOCCO
InChIInChI=1S/C13H29NO2.C2H6/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;1-2/h15H,3-13H2,1-2H3;1-2H3
InChIKeyMEQWLFSLWWYVTC-UHFFFAOYSA-N
MW261.45 g/mol
LogP3.31
Rot. Bonds12

About ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol

ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol (PubChem CID 156751317) has the molecular formula C15H35NO2 and a molecular weight of 261.45 g/mol. Its IUPAC name is ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Nameethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
PubChem CID156751317
Molecular FormulaC15H35NO2
Molecular Weight261.45 g/mol
Exact Mass261.27
IUPAC Nameethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
SMILESCC.CCCCCCCCN(C)CCOCCO
InChIInChI=1S/C13H29NO2.C2H6/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;1-2/h15H,3-13H2,1-2H3;1-2H3
InChIKeyMEQWLFSLWWYVTC-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
CID 171750134
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[dodecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102050774
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[2-[2-[2-[2-[3-[dodecyl-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297407
2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297413
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297390
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
1-decyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,3-dimethylurea
CID 3648902
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol?
The IUPAC name of ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol (CID 156751317) is ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol.
What is the SMILES notation for ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol?
The canonical SMILES for ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol is CC.CCCCCCCCN(C)CCOCCO.
What is the InChIKey of ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol?
The InChIKey is MEQWLFSLWWYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2.C2H6/c1-3-4-5-6-7-8-9-14(2)10-12-16-13-11-15;1-2/h15H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol?
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol has a molecular weight of 261.45 g/mol, XLogP of 3.31, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol is sourced from PubChem (CID 156751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).