tetradecane cyanide

C15H30N- — CID 161257561

IUPACtetradecane cyanide
SMILESCCCCCCCCCCCCCC.[C-]#N
InChIInChI=1S/C14H30.CN/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2/h3-14H2,1-2H3;/q;-1
InChIKeyVCCXGZLTUKVTNT-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.80
Rot. Bonds11

About tetradecane cyanide

tetradecane cyanide (PubChem CID 161257561) has the molecular formula C15H30N- and a molecular weight of 224.41 g/mol. Its IUPAC name is tetradecane cyanide.

Molecular Properties

Compound Nametetradecane cyanide
PubChem CID161257561
Molecular FormulaC15H30N-
Molecular Weight224.41 g/mol
Exact Mass224.24
IUPAC Nametetradecane cyanide
SMILESCCCCCCCCCCCCCC.[C-]#N
InChIInChI=1S/C14H30.CN/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2/h3-14H2,1-2H3;/q;-1
InChIKeyVCCXGZLTUKVTNT-UHFFFAOYSA-N
XLogP5.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

octane cyanide
CID 162116663
hexane dicyanide
CID 159336841
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of tetradecane cyanide?
The IUPAC name of tetradecane cyanide (CID 161257561) is tetradecane cyanide.
What is the SMILES notation for tetradecane cyanide?
The canonical SMILES for tetradecane cyanide is CCCCCCCCCCCCCC.[C-]#N.
What is the InChIKey of tetradecane cyanide?
The InChIKey is VCCXGZLTUKVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.CN/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2/h3-14H2,1-2H3;/q;-1.
What are the key properties of tetradecane cyanide?
tetradecane cyanide has a molecular weight of 224.41 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane cyanide is sourced from PubChem (CID 161257561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).