2-(icosa-5,8,11,14-tetraenylamino)ethanol

C22H39NO — CID 54036647

IUPAC2-(icosa-5,8,11,14-tetraenylamino)ethanol
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNCCO
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3
InChIKeyLJKYKFRQAQCNIN-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.71
Rot. Bonds17

About 2-(icosa-5,8,11,14-tetraenylamino)ethanol

2-(icosa-5,8,11,14-tetraenylamino)ethanol (PubChem CID 54036647) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-(icosa-5,8,11,14-tetraenylamino)ethanol.

Molecular Properties

Compound Name2-(icosa-5,8,11,14-tetraenylamino)ethanol
PubChem CID54036647
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-(icosa-5,8,11,14-tetraenylamino)ethanol
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNCCO
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3
InChIKeyLJKYKFRQAQCNIN-UHFFFAOYSA-N
XLogP5.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(icosa-5,8,11,14-tetraenylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(icosa-5,8,11,14-tetraenylamino)ethanol?
The IUPAC name of 2-(icosa-5,8,11,14-tetraenylamino)ethanol (CID 54036647) is 2-(icosa-5,8,11,14-tetraenylamino)ethanol.
What is the SMILES notation for 2-(icosa-5,8,11,14-tetraenylamino)ethanol?
The canonical SMILES for 2-(icosa-5,8,11,14-tetraenylamino)ethanol is CCCCCC=CCC=CCC=CCC=CCCCCNCCO.
What is the InChIKey of 2-(icosa-5,8,11,14-tetraenylamino)ethanol?
The InChIKey is LJKYKFRQAQCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-22H2,1H3.
What are the key properties of 2-(icosa-5,8,11,14-tetraenylamino)ethanol?
2-(icosa-5,8,11,14-tetraenylamino)ethanol has a molecular weight of 333.56 g/mol, XLogP of 5.71, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(icosa-5,8,11,14-tetraenylamino)ethanol is sourced from PubChem (CID 54036647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).