1-azidohexadec-7-ene

C16H31N3 — CID 54568004

IUPAC1-azidohexadec-7-ene
SMILESCCCCCCCCC=CCCCCCCN=[N+]=[N-]
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h9-10H,2-8,11-16H2,1H3
InChIKeyZVEYWUATGFKVNP-UHFFFAOYSA-N
MW265.44 g/mol
LogP6.55
Rot. Bonds14

About 1-azidohexadec-7-ene

1-azidohexadec-7-ene (PubChem CID 54568004) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-azidohexadec-7-ene.

Molecular Properties

Compound Name1-azidohexadec-7-ene
PubChem CID54568004
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-azidohexadec-7-ene
SMILESCCCCCCCCC=CCCCCCCN=[N+]=[N-]
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h9-10H,2-8,11-16H2,1H3
InChIKeyZVEYWUATGFKVNP-UHFFFAOYSA-N
XLogP6.55
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 56.55
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

10-Undecenyl azide
CID 10965429
(E)-11-azido-1,1,1-trifluoroundec-3-ene
CID 90276511
(E)-1-azido-5-fluoropentadec-2-ene
CID 154714645
Arachidonyl azide
CID 10663183
Oleyl azide
CID 51355200
Eicosa-5,8,11,14-tetraenylazide
CID 57093561
Oleyl isocyanide
CID 135049609
(Z)-4-azidonon-2-ene
CID 134907628
(13z,17z)-1-Azidotri aconta-13,17-diene
CID 171665931
(6S)-6-azidonon-1-ene
CID 52951779
(Z)-1-azidododec-5-ene
CID 10656025
(1Z)-5-azidocyclooctene
CID 13061128

Frequently Asked Questions

What is the IUPAC name of 1-azidohexadec-7-ene?
The IUPAC name of 1-azidohexadec-7-ene (CID 54568004) is 1-azidohexadec-7-ene.
What is the SMILES notation for 1-azidohexadec-7-ene?
The canonical SMILES for 1-azidohexadec-7-ene is CCCCCCCCC=CCCCCCCN=[N+]=[N-].
What is the InChIKey of 1-azidohexadec-7-ene?
The InChIKey is ZVEYWUATGFKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h9-10H,2-8,11-16H2,1H3.
What are the key properties of 1-azidohexadec-7-ene?
1-azidohexadec-7-ene has a molecular weight of 265.44 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidohexadec-7-ene is sourced from PubChem (CID 54568004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).