bis(diiminoazanium);hexane

C6H18N6+2 — CID 166794532

IUPACbis(diiminoazanium);hexane
SMILESCCCCCC.N=[N+]=N.N=[N+]=N
InChIInChI=1S/C6H14.2H2N3/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*1-2H/q;2*+1
InChIKeyPIENOYFJIJIJBL-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.82
Rot. Bonds3

About bis(diiminoazanium);hexane

bis(diiminoazanium);hexane (PubChem CID 166794532) has the molecular formula C6H18N6+2 and a molecular weight of 174.25 g/mol. Its IUPAC name is bis(diiminoazanium);hexane.

Molecular Properties

Compound Namebis(diiminoazanium);hexane
PubChem CID166794532
Molecular FormulaC6H18N6+2
Molecular Weight174.25 g/mol
Exact Mass174.16
IUPAC Namebis(diiminoazanium);hexane
SMILESCCCCCC.N=[N+]=N.N=[N+]=N
InChIInChI=1S/C6H14.2H2N3/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*1-2H/q;2*+1
InChIKeyPIENOYFJIJIJBL-UHFFFAOYSA-N
XLogP2.82
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

diiminoazanium;hexadecane
CID 175097111
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
decane;heptane
CID 159049036
hexane;molybdenum
CID 162092649
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of bis(diiminoazanium);hexane?
The IUPAC name of bis(diiminoazanium);hexane (CID 166794532) is bis(diiminoazanium);hexane.
What is the SMILES notation for bis(diiminoazanium);hexane?
The canonical SMILES for bis(diiminoazanium);hexane is CCCCCC.N=[N+]=N.N=[N+]=N.
What is the InChIKey of bis(diiminoazanium);hexane?
The InChIKey is PIENOYFJIJIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2H2N3/c1-3-5-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*1-2H/q;2*+1.
What are the key properties of bis(diiminoazanium);hexane?
bis(diiminoazanium);hexane has a molecular weight of 174.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diiminoazanium);hexane is sourced from PubChem (CID 166794532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).