1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol

C24H51NO2 — CID 19019049

IUPAC1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol
SMILESCCCCCCCCCCC(CCCCCCCC)CN(C(C)O)C(C)O
InChIInChI=1S/C24H51NO2/c1-5-7-9-11-13-14-16-18-20-24(19-17-15-12-10-8-6-2)21-25(22(3)26)23(4)27/h22-24,26-27H,5-21H2,1-4H3
InChIKeyCKCYUBQBUMIAGM-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.86
Rot. Bonds20

About 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol

1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol (PubChem CID 19019049) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol.

Molecular Properties

Compound Name1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol
PubChem CID19019049
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol
SMILESCCCCCCCCCCC(CCCCCCCC)CN(C(C)O)C(C)O
InChIInChI=1S/C24H51NO2/c1-5-7-9-11-13-14-16-18-20-24(19-17-15-12-10-8-6-2)21-25(22(3)26)23(4)27/h22-24,26-27H,5-21H2,1-4H3
InChIKeyCKCYUBQBUMIAGM-UHFFFAOYSA-N
XLogP6.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol?
The IUPAC name of 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol (CID 19019049) is 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol.
What is the SMILES notation for 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol?
The canonical SMILES for 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol is CCCCCCCCCCC(CCCCCCCC)CN(C(C)O)C(C)O.
What is the InChIKey of 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol?
The InChIKey is CKCYUBQBUMIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-5-7-9-11-13-14-16-18-20-24(19-17-15-12-10-8-6-2)21-25(22(3)26)23(4)27/h22-24,26-27H,5-21H2,1-4H3.
What are the key properties of 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol?
1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol has a molecular weight of 385.68 g/mol, XLogP of 6.86, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyethyl(2-octyldodecyl)amino]ethanol is sourced from PubChem (CID 19019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).