1-azidoicosa-5,8,11,14-tetraene

C20H33N3 — CID 57093561

IUPAC1-azidoicosa-5,8,11,14-tetraene
SMILESCCCCCC=CCC=CCC=CCC=CCCCCN=[N+]=[N-]
InChIInChI=1S/C20H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3
InChIKeyKWUWUHPXGBPGTG-UHFFFAOYSA-N
MW315.51 g/mol
LogP7.44
Rot. Bonds15

About 1-azidoicosa-5,8,11,14-tetraene

1-azidoicosa-5,8,11,14-tetraene (PubChem CID 57093561) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is 1-azidoicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name1-azidoicosa-5,8,11,14-tetraene
PubChem CID57093561
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name1-azidoicosa-5,8,11,14-tetraene
SMILESCCCCCC=CCC=CCC=CCC=CCCCCN=[N+]=[N-]
InChIInChI=1S/C20H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3
InChIKeyKWUWUHPXGBPGTG-UHFFFAOYSA-N
XLogP7.44
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10663183
Oleyl azide
CID 51355200
(4e,8e,12e,16e)-4,8,13,17,21-Penta-methyl-4,8,12,16,20-docosapentaenyl azide
CID 10476747
(Z)-4-azidonon-2-ene
CID 134907628
(13z,17z)-1-Azidotri aconta-13,17-diene
CID 171665931
(Z)-1-azidododec-5-ene
CID 10656025
(5Z,9Z)-3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 20332298
(5Z,9Z)-3,12-dibutyl-1,2-diazacyclododeca-1,5,9-triene
CID 20332301
(5Z,9Z)-3,12-di(nonyl)-1,2-diazacyclododeca-1,5,9-triene
CID 20559016
(5Z,9Z)-3,12-didecyl-1,2-diazacyclododeca-1,5,9-triene
CID 20559030
(5Z,9Z)-3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 20559044
(5E,9E)-3,12-dihexyl-1,2-diazacyclododeca-1,5,9-triene
CID 22787995

Frequently Asked Questions

What is the IUPAC name of 1-azidoicosa-5,8,11,14-tetraene?
The IUPAC name of 1-azidoicosa-5,8,11,14-tetraene (CID 57093561) is 1-azidoicosa-5,8,11,14-tetraene.
What is the SMILES notation for 1-azidoicosa-5,8,11,14-tetraene?
The canonical SMILES for 1-azidoicosa-5,8,11,14-tetraene is CCCCCC=CCC=CCC=CCC=CCCCCN=[N+]=[N-].
What is the InChIKey of 1-azidoicosa-5,8,11,14-tetraene?
The InChIKey is KWUWUHPXGBPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3.
What are the key properties of 1-azidoicosa-5,8,11,14-tetraene?
1-azidoicosa-5,8,11,14-tetraene has a molecular weight of 315.51 g/mol, XLogP of 7.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoicosa-5,8,11,14-tetraene is sourced from PubChem (CID 57093561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).