formazan;nonane

C11H28N8 — CID 160965853

IUPACformazan;nonane
SMILESCCCCCCCCC.[H]/N=N/C=NN.[H]/N=N/C=NN
InChIInChI=1S/C9H20.2CH4N4/c1-3-5-7-9-8-6-4-2;2*2-4-1-5-3/h3-9H2,1-2H3;2*1-2H,3H2/b;2*4-2+,5-1?
InChIKeySXPMVHJSLAFSMR-KIYSNALSSA-N
MW272.40 g/mol
LogP3.60
Rot. Bonds8

About formazan;nonane

formazan;nonane (PubChem CID 160965853) has the molecular formula C11H28N8 and a molecular weight of 272.40 g/mol. Its IUPAC name is formazan;nonane.

Molecular Properties

Compound Nameformazan;nonane
PubChem CID160965853
Molecular FormulaC11H28N8
Molecular Weight272.40 g/mol
Exact Mass272.24
IUPAC Nameformazan;nonane
SMILESCCCCCCCCC.[H]/N=N/C=NN.[H]/N=N/C=NN
InChIInChI=1S/C9H20.2CH4N4/c1-3-5-7-9-8-6-4-2;2*2-4-1-5-3/h3-9H2,1-2H3;2*1-2H,3H2/b;2*4-2+,5-1?
InChIKeySXPMVHJSLAFSMR-KIYSNALSSA-N
XLogP3.60
TPSA149.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.60
H-Bond Donors ≤ 54
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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

heptyldiazene
CID 89066541
heptadecane;hydrazine
CID 174880698
methanamine;tris(octane)
CID 173014836
decane;methanamine
CID 159574300
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
hydrazine;pentadecane
CID 174880620
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of formazan;nonane?
The IUPAC name of formazan;nonane (CID 160965853) is formazan;nonane.
What is the SMILES notation for formazan;nonane?
The canonical SMILES for formazan;nonane is CCCCCCCCC.[H]/N=N/C=NN.[H]/N=N/C=NN.
What is the InChIKey of formazan;nonane?
The InChIKey is SXPMVHJSLAFSMR-KIYSNALSSA-N. The full InChI is InChI=1S/C9H20.2CH4N4/c1-3-5-7-9-8-6-4-2;2*2-4-1-5-3/h3-9H2,1-2H3;2*1-2H,3H2/b;2*4-2+,5-1?.
What are the key properties of formazan;nonane?
formazan;nonane has a molecular weight of 272.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;nonane is sourced from PubChem (CID 160965853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).