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

C20H41NO — CID 139596631

IUPAC2-[(E)-octadec-6-enoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h12-13H,2-11,14-21H2,1H3/b13-12+
InChIKeyPNRVUQBJSMBDRW-OUKQBFOZSA-N
MW311.55 g/mol
LogP6.00
Rot. Bonds18

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

2-[(E)-octadec-6-enoxy]ethanamine (PubChem CID 139596631) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 2-[(E)-octadec-6-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(E)-octadec-6-enoxy]ethanamine
PubChem CID139596631
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name2-[(E)-octadec-6-enoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h12-13H,2-11,14-21H2,1H3/b13-12+
InChIKeyPNRVUQBJSMBDRW-OUKQBFOZSA-N
XLogP6.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-octadec-6-enoxy]ethanamine?
The IUPAC name of 2-[(E)-octadec-6-enoxy]ethanamine (CID 139596631) is 2-[(E)-octadec-6-enoxy]ethanamine.
What is the SMILES notation for 2-[(E)-octadec-6-enoxy]ethanamine?
The canonical SMILES for 2-[(E)-octadec-6-enoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCN.
What is the InChIKey of 2-[(E)-octadec-6-enoxy]ethanamine?
The InChIKey is PNRVUQBJSMBDRW-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h12-13H,2-11,14-21H2,1H3/b13-12+.
What are the key properties of 2-[(E)-octadec-6-enoxy]ethanamine?
2-[(E)-octadec-6-enoxy]ethanamine has a molecular weight of 311.55 g/mol, XLogP of 6.00, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-octadec-6-enoxy]ethanamine is sourced from PubChem (CID 139596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).