2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine

C24H49NO3 — CID 139595983

IUPAC2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCN
InChIInChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h12-13H,2-11,14-25H2,1H3/b13-12+
InChIKeyLUSVIHYUPJCDHP-OUKQBFOZSA-N
MW399.66 g/mol
LogP6.03
Rot. Bonds24

About 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine (PubChem CID 139595983) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine
PubChem CID139595983
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC Name2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCN
InChIInChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h12-13H,2-11,14-25H2,1H3/b13-12+
InChIKeyLUSVIHYUPJCDHP-OUKQBFOZSA-N
XLogP6.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine (CID 139595983) is 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is LUSVIHYUPJCDHP-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h12-13H,2-11,14-25H2,1H3/b13-12+.
What are the key properties of 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 399.66 g/mol, XLogP of 6.03, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 139595983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).