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

C24H51NO2 — CID 54302155

IUPAC2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol
SMILESCCCCCCCCCCC(CCCCCCCC)CN(CCO)CCO
InChIInChI=1S/C24H51NO2/c1-3-5-7-9-11-12-14-16-18-24(17-15-13-10-8-6-4-2)23-25(19-21-26)20-22-27/h24,26-27H,3-23H2,1-2H3
InChIKeySEZGEVYWWWFYKN-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.17
Rot. Bonds22

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

2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol (PubChem CID 54302155) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol
PubChem CID54302155
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol
SMILESCCCCCCCCCCC(CCCCCCCC)CN(CCO)CCO
InChIInChI=1S/C24H51NO2/c1-3-5-7-9-11-12-14-16-18-24(17-15-13-10-8-6-4-2)23-25(19-21-26)20-22-27/h24,26-27H,3-23H2,1-2H3
InChIKeySEZGEVYWWWFYKN-UHFFFAOYSA-N
XLogP6.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.17
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(2-octyldodecyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol (CID 54302155) is 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol is CCCCCCCCCCC(CCCCCCCC)CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol?
The InChIKey is SEZGEVYWWWFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-3-5-7-9-11-12-14-16-18-24(17-15-13-10-8-6-4-2)23-25(19-21-26)20-22-27/h24,26-27H,3-23H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol?
2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol has a molecular weight of 385.68 g/mol, XLogP of 6.17, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-octyldodecyl)amino]ethanol is sourced from PubChem (CID 54302155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).