2-[(4E)-hexadeca-4,15-dienoxy]ethanamine

C18H35NO — CID 155014948

IUPAC2-[(4E)-hexadeca-4,15-dienoxy]ethanamine
SMILESC=CCCCCCCCCC/C=C/CCCOCCN
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h2,12-13H,1,3-11,14-19H2/b13-12+
InChIKeyBAULIDQPLNXHGU-OUKQBFOZSA-N
MW281.48 g/mol
LogP4.99
Rot. Bonds16

About 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine

2-[(4E)-hexadeca-4,15-dienoxy]ethanamine (PubChem CID 155014948) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine.

Molecular Properties

Compound Name2-[(4E)-hexadeca-4,15-dienoxy]ethanamine
PubChem CID155014948
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-[(4E)-hexadeca-4,15-dienoxy]ethanamine
SMILESC=CCCCCCCCCC/C=C/CCCOCCN
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h2,12-13H,1,3-11,14-19H2/b13-12+
InChIKeyBAULIDQPLNXHGU-OUKQBFOZSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.99
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-[(4E)-hexadeca-4,15-dienoxy]ethanamine?
The IUPAC name of 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine (CID 155014948) is 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine.
What is the SMILES notation for 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine?
The canonical SMILES for 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine is C=CCCCCCCCCC/C=C/CCCOCCN.
What is the InChIKey of 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine?
The InChIKey is BAULIDQPLNXHGU-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h2,12-13H,1,3-11,14-19H2/b13-12+.
What are the key properties of 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine?
2-[(4E)-hexadeca-4,15-dienoxy]ethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.99, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-hexadeca-4,15-dienoxy]ethanamine is sourced from PubChem (CID 155014948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).