8-azidooctanenitrile

C8H14N4 — CID 122498616

IUPAC8-azidooctanenitrile
SMILESN#CCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H14N4/c9-7-5-3-1-2-4-6-8-11-12-10/h1-6,8H2
InChIKeyPKNPQDVCLHVAPP-UHFFFAOYSA-N
MW166.23 g/mol
LogP3.16
Rot. Bonds7

About 8-azidooctanenitrile

8-azidooctanenitrile (PubChem CID 122498616) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 8-azidooctanenitrile.

Molecular Properties

Compound Name8-azidooctanenitrile
PubChem CID122498616
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name8-azidooctanenitrile
SMILESN#CCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H14N4/c9-7-5-3-1-2-4-6-8-11-12-10/h1-6,8H2
InChIKeyPKNPQDVCLHVAPP-UHFFFAOYSA-N
XLogP3.16
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Azidopentanenitrile
CID 3289645
7-Azidoheptanenitrile
CID 4543668
5,5'-(1,2-Diazenediyl)bis[pentanenitrile]
CID 21271056
6-Azidohexanenitrile
CID 4005816
6-(5-Cyanopentyldiazenyl)hexanenitrile
CID 54180537
7-(6-Cyanohexyldiazenyl)heptanenitrile
CID 54478345
8-Isocyanooctanenitrile
CID 88530482
2-(1,6-Dicyanohexyldiazenyl)octanedinitrile
CID 163210902
2-(1,4-Dicyanobutyldiazenyl)hexanedinitrile
CID 175473218
6-Cyanohexylimino(imino)azanium
CID 6332764
4-Azidodecanenitrile
CID 11435498
1,2-Diazacyclotetradecene-3-carbonitrile
CID 174793760

Frequently Asked Questions

What is the IUPAC name of 8-azidooctanenitrile?
The IUPAC name of 8-azidooctanenitrile (CID 122498616) is 8-azidooctanenitrile.
What is the SMILES notation for 8-azidooctanenitrile?
The canonical SMILES for 8-azidooctanenitrile is N#CCCCCCCCN=[N+]=[N-].
What is the InChIKey of 8-azidooctanenitrile?
The InChIKey is PKNPQDVCLHVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-7-5-3-1-2-4-6-8-11-12-10/h1-6,8H2.
What are the key properties of 8-azidooctanenitrile?
8-azidooctanenitrile has a molecular weight of 166.23 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidooctanenitrile is sourced from PubChem (CID 122498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).