2-[2-(octadec-9-enylamino)ethoxy]ethanol

C22H45NO2 — CID 54402491

IUPAC2-[2-(octadec-9-enylamino)ethoxy]ethanol
SMILESCCCCCCCCC=CCCCCCCCCNCCOCCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-25-22-20-24/h9-10,23-24H,2-8,11-22H2,1H3
InChIKeyVOKGAGGJSZRQHU-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.62
Rot. Bonds21

About 2-[2-(octadec-9-enylamino)ethoxy]ethanol

2-[2-(octadec-9-enylamino)ethoxy]ethanol (PubChem CID 54402491) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-[2-(octadec-9-enylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(octadec-9-enylamino)ethoxy]ethanol
PubChem CID54402491
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name2-[2-(octadec-9-enylamino)ethoxy]ethanol
SMILESCCCCCCCCC=CCCCCCCCCNCCOCCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-25-22-20-24/h9-10,23-24H,2-8,11-22H2,1H3
InChIKeyVOKGAGGJSZRQHU-UHFFFAOYSA-N
XLogP5.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(octadec-9-enylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(octadec-9-enylamino)ethoxy]ethanol (CID 54402491) is 2-[2-(octadec-9-enylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(octadec-9-enylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(octadec-9-enylamino)ethoxy]ethanol is CCCCCCCCC=CCCCCCCCCNCCOCCO.
What is the InChIKey of 2-[2-(octadec-9-enylamino)ethoxy]ethanol?
The InChIKey is VOKGAGGJSZRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-25-22-20-24/h9-10,23-24H,2-8,11-22H2,1H3.
What are the key properties of 2-[2-(octadec-9-enylamino)ethoxy]ethanol?
2-[2-(octadec-9-enylamino)ethoxy]ethanol has a molecular weight of 355.61 g/mol, XLogP of 5.62, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(octadec-9-enylamino)ethoxy]ethanol is sourced from PubChem (CID 54402491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).