1-decyl-2-ethylpyridin-1-ium cyanide

C18H30N2 — CID 171570055

IUPAC1-decyl-2-ethylpyridin-1-ium cyanide
SMILESCCCCCCCCCC[n+]1ccccc1CC.[C-]#N
InChIInChI=1S/C17H30N.CN/c1-3-5-6-7-8-9-10-12-15-18-16-13-11-14-17(18)4-2;1-2/h11,13-14,16H,3-10,12,15H2,1-2H3;/q+1;-1
InChIKeyVZRGKFURXLDXRQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.77
Rot. Bonds10

About 1-decyl-2-ethylpyridin-1-ium cyanide

1-decyl-2-ethylpyridin-1-ium cyanide (PubChem CID 171570055) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-decyl-2-ethylpyridin-1-ium cyanide.

Molecular Properties

Compound Name1-decyl-2-ethylpyridin-1-ium cyanide
PubChem CID171570055
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-decyl-2-ethylpyridin-1-ium cyanide
SMILESCCCCCCCCCC[n+]1ccccc1CC.[C-]#N
InChIInChI=1S/C17H30N.CN/c1-3-5-6-7-8-9-10-12-15-18-16-13-11-14-17(18)4-2;1-2/h11,13-14,16H,3-10,12,15H2,1-2H3;/q+1;-1
InChIKeyVZRGKFURXLDXRQ-UHFFFAOYSA-N
XLogP4.77
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.77
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
1-butyl-2-ethylpyridin-1-ium cyanide
CID 171571156
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
2-ethyl-1-undecylpyridin-1-ium;methanesulfonate
CID 171570336
2-ethyl-1-hexylpyridin-1-ium acetate
CID 171570105
2-ethyl-1-heptylpyridin-1-ium;methanesulfonate
CID 171569882
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-ethylpyridin-1-ium cyanide?
The IUPAC name of 1-decyl-2-ethylpyridin-1-ium cyanide (CID 171570055) is 1-decyl-2-ethylpyridin-1-ium cyanide.
What is the SMILES notation for 1-decyl-2-ethylpyridin-1-ium cyanide?
The canonical SMILES for 1-decyl-2-ethylpyridin-1-ium cyanide is CCCCCCCCCC[n+]1ccccc1CC.[C-]#N.
What is the InChIKey of 1-decyl-2-ethylpyridin-1-ium cyanide?
The InChIKey is VZRGKFURXLDXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N.CN/c1-3-5-6-7-8-9-10-12-15-18-16-13-11-14-17(18)4-2;1-2/h11,13-14,16H,3-10,12,15H2,1-2H3;/q+1;-1.
What are the key properties of 1-decyl-2-ethylpyridin-1-ium cyanide?
1-decyl-2-ethylpyridin-1-ium cyanide has a molecular weight of 274.45 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-ethylpyridin-1-ium cyanide is sourced from PubChem (CID 171570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).