11-azidotricos-1-ene

C23H45N3 — CID 19032292

IUPAC11-azidotricos-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C23H45N3/c1-3-5-7-9-11-13-14-16-18-20-22-23(25-26-24)21-19-17-15-12-10-8-6-4-2/h4,23H,2-3,5-22H2,1H3
InChIKeyLZJCPNQMQZAFLT-UHFFFAOYSA-N
MW363.63 g/mol
LogP9.28
Rot. Bonds21

About 11-azidotricos-1-ene

11-azidotricos-1-ene (PubChem CID 19032292) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 11-azidotricos-1-ene.

Molecular Properties

Compound Name11-azidotricos-1-ene
PubChem CID19032292
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name11-azidotricos-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C23H45N3/c1-3-5-7-9-11-13-14-16-18-20-22-23(25-26-24)21-19-17-15-12-10-8-6-4-2/h4,23H,2-3,5-22H2,1H3
InChIKeyLZJCPNQMQZAFLT-UHFFFAOYSA-N
XLogP9.28
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 59.28
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
Oleyl azide
CID 51355200
(13z,17z)-1-Azidotri aconta-13,17-diene
CID 171665931
(6S)-6-azidonon-1-ene
CID 52951779
(4R)-4-azidonona-1,8-diene
CID 52952538
3-Azidooct-1-ene
CID 14415561
(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 11-azidotricos-1-ene?
The IUPAC name of 11-azidotricos-1-ene (CID 19032292) is 11-azidotricos-1-ene.
What is the SMILES notation for 11-azidotricos-1-ene?
The canonical SMILES for 11-azidotricos-1-ene is C=CCCCCCCCCC(CCCCCCCCCCCC)N=[N+]=[N-].
What is the InChIKey of 11-azidotricos-1-ene?
The InChIKey is LZJCPNQMQZAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-5-7-9-11-13-14-16-18-20-22-23(25-26-24)21-19-17-15-12-10-8-6-4-2/h4,23H,2-3,5-22H2,1H3.
What are the key properties of 11-azidotricos-1-ene?
11-azidotricos-1-ene has a molecular weight of 363.63 g/mol, XLogP of 9.28, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azidotricos-1-ene is sourced from PubChem (CID 19032292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).