N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate

C11H19F3N2O3SSi — CID 134913925

IUPACN,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate
SMILESCN(C)c1cc[n+]([Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H19N2Si.CHF3O3S/c1-11(2)10-6-8-12(9-7-10)13(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyAPLQRJULHVAMOT-UHFFFAOYSA-M
MW344.43 g/mol
LogP1.77
Rot. Bonds2

About N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate

N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate (PubChem CID 134913925) has the molecular formula C11H19F3N2O3SSi and a molecular weight of 344.43 g/mol. Its IUPAC name is N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate.

Molecular Properties

Compound NameN,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate
PubChem CID134913925
Molecular FormulaC11H19F3N2O3SSi
Molecular Weight344.43 g/mol
Exact Mass344.08
IUPAC NameN,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate
SMILESCN(C)c1cc[n+]([Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H19N2Si.CHF3O3S/c1-11(2)10-6-8-12(9-7-10)13(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyAPLQRJULHVAMOT-UHFFFAOYSA-M
XLogP1.77
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

1-Butylpyridinium triflate
CID 2734248
1-Butyl-3-methylpyridinium trifluoromethanesulfonate
CID 23079882
1-Ethylpyridinium trifluoromethanesulfonate
CID 13638937
1-Hexylpyridinium trifluoromethanesulfonate
CID 2734249
1-Butyl-4-methylpyridinium trifluoromethanesulfonate
CID 60196392
1-Butylpyridinium perfluoro-1-butanesulfonate
CID 22678964
1-Hexylpyridinium bis(trifluoromethanesulfonyl)imide
CID 11212948
1-Ethylpyridinium bis(trifluoromethylsulfonyl)imde
CID 11440619
1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide
CID 12184310
2-Ethenyl-1-methylpyridin-1-ium trifluoromethanesulfonate
CID 16218414
1-Ethyl-2-methylpyridinium bis(trifluoromethylsulfonyl)imide
CID 121235098
N-[3-(N''-methyl-N''-phenylamino)-4-pyridinyl]trifluoromethanesulfonamide
CID 11359466

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The IUPAC name of N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate (CID 134913925) is N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate.
What is the SMILES notation for N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The canonical SMILES for N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate is CN(C)c1cc[n+]([Si](C)(C)C)cc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
The InChIKey is APLQRJULHVAMOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N2Si.CHF3O3S/c1-11(2)10-6-8-12(9-7-10)13(3,4)5;2-1(3,4)8(5,6)7/h6-9H,1-5H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate?
N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate has a molecular weight of 344.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-trimethylsilylpyridin-1-ium-4-amine;trifluoromethanesulfonate is sourced from PubChem (CID 134913925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).