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

C18H39NO2 — CID 12942137

IUPAC2-[2-hydroxyethyl(tetradecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3
InChIKeyCPHJEACXPATRSU-UHFFFAOYSA-N
MW301.52 g/mol
LogP3.97
Rot. Bonds17

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

2-[2-hydroxyethyl(tetradecyl)amino]ethanol (PubChem CID 12942137) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(tetradecyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(tetradecyl)amino]ethanol
PubChem CID12942137
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name2-[2-hydroxyethyl(tetradecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3
InChIKeyCPHJEACXPATRSU-UHFFFAOYSA-N
XLogP3.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.97
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-hydroxyethyl(tetradecyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(tetradecyl)amino]ethanol (CID 12942137) is 2-[2-hydroxyethyl(tetradecyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(tetradecyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(tetradecyl)amino]ethanol is CCCCCCCCCCCCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(tetradecyl)amino]ethanol?
The InChIKey is CPHJEACXPATRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(tetradecyl)amino]ethanol?
2-[2-hydroxyethyl(tetradecyl)amino]ethanol has a molecular weight of 301.52 g/mol, XLogP of 3.97, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(tetradecyl)amino]ethanol is sourced from PubChem (CID 12942137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).