2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol

C20H43NO2 — CID 19019051

IUPAC2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCC(CCCCCC)CN(CCO)CCO
InChIInChI=1S/C20H43NO2/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21(15-17-22)16-18-23/h20,22-23H,3-19H2,1-2H3
InChIKeyTUSWSLKKEBBCQE-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.61
Rot. Bonds18

About 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol

2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol (PubChem CID 19019051) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol
PubChem CID19019051
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCC(CCCCCC)CN(CCO)CCO
InChIInChI=1S/C20H43NO2/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21(15-17-22)16-18-23/h20,22-23H,3-19H2,1-2H3
InChIKeyTUSWSLKKEBBCQE-UHFFFAOYSA-N
XLogP4.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol (CID 19019051) is 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol is CCCCCCCCC(CCCCCC)CN(CCO)CCO.
What is the InChIKey of 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is TUSWSLKKEBBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21(15-17-22)16-18-23/h20,22-23H,3-19H2,1-2H3.
What are the key properties of 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol?
2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 329.57 g/mol, XLogP of 4.61, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hexyldecyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19019051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).