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

C22H45NO2 — CID 139594606

IUPAC2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCN
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h12-13H,2-11,14-23H2,1H3/b13-12+
InChIKeyCRUQGEWMMNMIPL-OUKQBFOZSA-N
MW355.61 g/mol
LogP6.02
Rot. Bonds21

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

2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine (PubChem CID 139594606) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine
PubChem CID139594606
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCN
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h12-13H,2-11,14-23H2,1H3/b13-12+
InChIKeyCRUQGEWMMNMIPL-OUKQBFOZSA-N
XLogP6.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.02
H-Bond Donors ≤ 51
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-[(E)-octadec-6-enoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine (CID 139594606) is 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCOCCN.
What is the InChIKey of 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine?
The InChIKey is CRUQGEWMMNMIPL-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h12-13H,2-11,14-23H2,1H3/b13-12+.
What are the key properties of 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine?
2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine has a molecular weight of 355.61 g/mol, XLogP of 6.02, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-octadec-6-enoxy]ethoxy]ethanamine is sourced from PubChem (CID 139594606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).