[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene

C12H26N6 — CID 174274162

IUPAC[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
SMILES[H]/N=N/CCCCC(CCCC(CCC)/N=N/[H])/N=N/[H]
InChIInChI=1S/C12H26N6/c1-2-6-11(17-14)8-5-9-12(18-15)7-3-4-10-16-13/h11-15H,2-10H2,1H3/b16-13+,17-14+,18-15+
InChIKeyUDPJLXCEIYDKIP-NLCRRHETSA-N
MW254.38 g/mol
LogP4.96
Rot. Bonds13

About [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene

[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene (PubChem CID 174274162) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene.

Molecular Properties

Compound Name[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
PubChem CID174274162
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC Name[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
SMILES[H]/N=N/CCCCC(CCCC(CCC)/N=N/[H])/N=N/[H]
InChIInChI=1S/C12H26N6/c1-2-6-11(17-14)8-5-9-12(18-15)7-3-4-10-16-13/h11-15H,2-10H2,1H3/b16-13+,17-14+,18-15+
InChIKeyUDPJLXCEIYDKIP-NLCRRHETSA-N
XLogP4.96
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

nonan-5-yldiazene
CID 123930065
(1,7-didiazenyl-10-triethoxysilyldecan-4-yl)diazene
CID 175003228
heptyldiazene
CID 89066541
[3-diazenyl-1-(2-diazenylethyl)butyl]diazene
CID 175358831
12-nitrosododecyldiazene
CID 122463248
5-methylhex-5-enyldiazene
CID 123572307
4-nitrosooctadecane
CID 122423399
2-[(Z)-prop-1-enyl]heptyldiazene
CID 155484862
4-diazenyl-2-methylbutanenitrile
CID 174781971
2-octan-4-ylguanidine
CID 106025621
14-amino-5-diazenyl-3-iminotetradecane-1-thiol
CID 134325414
[(2R)-2-methylbutyl]diazene
CID 88856241

Frequently Asked Questions

What is the IUPAC name of [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene?
The IUPAC name of [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene (CID 174274162) is [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene.
What is the SMILES notation for [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene?
The canonical SMILES for [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene is [H]/N=N/CCCCC(CCCC(CCC)/N=N/[H])/N=N/[H].
What is the InChIKey of [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene?
The InChIKey is UDPJLXCEIYDKIP-NLCRRHETSA-N. The full InChI is InChI=1S/C12H26N6/c1-2-6-11(17-14)8-5-9-12(18-15)7-3-4-10-16-13/h11-15H,2-10H2,1H3/b16-13+,17-14+,18-15+.
What are the key properties of [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene?
[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene has a molecular weight of 254.38 g/mol, XLogP of 4.96, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-diazenyl-1-(4-diazenylbutyl)octyl]diazene is sourced from PubChem (CID 174274162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).