2-[bis(11-methyldodecyl)amino]ethanol

C28H59NO — CID 14981902

IUPAC2-[bis(11-methyldodecyl)amino]ethanol
SMILESCC(C)CCCCCCCCCCN(CCO)CCCCCCCCCCC(C)C
InChIInChI=1S/C28H59NO/c1-27(2)21-17-13-9-5-7-11-15-19-23-29(25-26-30)24-20-16-12-8-6-10-14-18-22-28(3)4/h27-28,30H,5-26H2,1-4H3
InChIKeyGOZXOTRFKQRHTH-UHFFFAOYSA-N
MW425.79 g/mol
LogP8.61
Rot. Bonds24

About 2-[bis(11-methyldodecyl)amino]ethanol

2-[bis(11-methyldodecyl)amino]ethanol (PubChem CID 14981902) has the molecular formula C28H59NO and a molecular weight of 425.79 g/mol. Its IUPAC name is 2-[bis(11-methyldodecyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(11-methyldodecyl)amino]ethanol
PubChem CID14981902
Molecular FormulaC28H59NO
Molecular Weight425.79 g/mol
Exact Mass425.46
IUPAC Name2-[bis(11-methyldodecyl)amino]ethanol
SMILESCC(C)CCCCCCCCCCN(CCO)CCCCCCCCCCC(C)C
InChIInChI=1S/C28H59NO/c1-27(2)21-17-13-9-5-7-11-15-19-23-29(25-26-30)24-20-16-12-8-6-10-14-18-22-28(3)4/h27-28,30H,5-26H2,1-4H3
InChIKeyGOZXOTRFKQRHTH-UHFFFAOYSA-N
XLogP8.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[bis(11-methyldodecyl)amino]ethanol?
The IUPAC name of 2-[bis(11-methyldodecyl)amino]ethanol (CID 14981902) is 2-[bis(11-methyldodecyl)amino]ethanol.
What is the SMILES notation for 2-[bis(11-methyldodecyl)amino]ethanol?
The canonical SMILES for 2-[bis(11-methyldodecyl)amino]ethanol is CC(C)CCCCCCCCCCN(CCO)CCCCCCCCCCC(C)C.
What is the InChIKey of 2-[bis(11-methyldodecyl)amino]ethanol?
The InChIKey is GOZXOTRFKQRHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO/c1-27(2)21-17-13-9-5-7-11-15-19-23-29(25-26-30)24-20-16-12-8-6-10-14-18-22-28(3)4/h27-28,30H,5-26H2,1-4H3.
What are the key properties of 2-[bis(11-methyldodecyl)amino]ethanol?
2-[bis(11-methyldodecyl)amino]ethanol has a molecular weight of 425.79 g/mol, XLogP of 8.61, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(11-methyldodecyl)amino]ethanol is sourced from PubChem (CID 14981902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).