2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol

C12H27NO4 — CID 87223542

IUPAC2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol
SMILESCCCCC(CC)CN(OCCO)OCCO
InChIInChI=1S/C12H27NO4/c1-3-5-6-12(4-2)11-13(16-9-7-14)17-10-8-15/h12,14-15H,3-11H2,1-2H3
InChIKeyVHQIOBRTLCZXOY-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.35
Rot. Bonds12

About 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol

2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol (PubChem CID 87223542) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol.

Molecular Properties

Compound Name2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol
PubChem CID87223542
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol
SMILESCCCCC(CC)CN(OCCO)OCCO
InChIInChI=1S/C12H27NO4/c1-3-5-6-12(4-2)11-13(16-9-7-14)17-10-8-15/h12,14-15H,3-11H2,1-2H3
InChIKeyVHQIOBRTLCZXOY-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;3-(2-ethylhexoxymethyl)heptane;phosphoric acid
CID 174996961
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
4-ethyldecan-1-ol
CID 91002231
4-ethyltridecan-1-ol
CID 20550506

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol?
The IUPAC name of 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol (CID 87223542) is 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol.
What is the SMILES notation for 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol?
The canonical SMILES for 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol is CCCCC(CC)CN(OCCO)OCCO.
What is the InChIKey of 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol?
The InChIKey is VHQIOBRTLCZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-3-5-6-12(4-2)11-13(16-9-7-14)17-10-8-15/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol?
2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol has a molecular weight of 249.35 g/mol, XLogP of 1.35, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol is sourced from PubChem (CID 87223542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).