hexane dicyanide

C8H14N2-2 — CID 159336841

IUPAChexane dicyanide
SMILESCCCCCC.[C-]#N.[C-]#N
InChIInChI=1S/C6H14.2CN/c1-3-5-6-4-2;2*1-2/h3-6H2,1-2H3;;/q;2*-1
InChIKeyLFQNJUGUVNZCDL-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.78
Rot. Bonds3

About hexane dicyanide

hexane dicyanide (PubChem CID 159336841) has the molecular formula C8H14N2-2 and a molecular weight of 138.21 g/mol. Its IUPAC name is hexane dicyanide.

Molecular Properties

Compound Namehexane dicyanide
PubChem CID159336841
Molecular FormulaC8H14N2-2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namehexane dicyanide
SMILESCCCCCC.[C-]#N.[C-]#N
InChIInChI=1S/C6H14.2CN/c1-3-5-6-4-2;2*1-2/h3-6H2,1-2H3;;/q;2*-1
InChIKeyLFQNJUGUVNZCDL-UHFFFAOYSA-N
XLogP2.78
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

tetradecane cyanide
CID 161257561
octane cyanide
CID 162116663
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
dohexacontane
CID 522644
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of hexane dicyanide?
The IUPAC name of hexane dicyanide (CID 159336841) is hexane dicyanide.
What is the SMILES notation for hexane dicyanide?
The canonical SMILES for hexane dicyanide is CCCCCC.[C-]#N.[C-]#N.
What is the InChIKey of hexane dicyanide?
The InChIKey is LFQNJUGUVNZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2CN/c1-3-5-6-4-2;2*1-2/h3-6H2,1-2H3;;/q;2*-1.
What are the key properties of hexane dicyanide?
hexane dicyanide has a molecular weight of 138.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane dicyanide is sourced from PubChem (CID 159336841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).