bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium

C22H44F6N2O4S2 — CID 134716531

IUPACbis(trifluoromethylsulfonyl)azanide;tetrapentylazanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H44N.C2F6NO4S2/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-20H2,1-4H3;/q+1;-1
InChIKeyAXBQPRDJZAPGQC-UHFFFAOYSA-N
MW578.73 g/mol
LogP7.62
Rot. Bonds18

About bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium

bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium (PubChem CID 134716531) has the molecular formula C22H44F6N2O4S2 and a molecular weight of 578.73 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tetrapentylazanium
PubChem CID134716531
Molecular FormulaC22H44F6N2O4S2
Molecular Weight578.73 g/mol
Exact Mass578.26
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tetrapentylazanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H44N.C2F6NO4S2/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-20H2,1-4H3;/q+1;-1
InChIKeyAXBQPRDJZAPGQC-UHFFFAOYSA-N
XLogP7.62
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.73
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Methyltricaprylylammonium bistriflamide
CID 16211009
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991988
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436
1-Hexyl-1-methylpyrrolidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 86681565
1-Methyl-1-pentylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 121234256
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium (CID 134716531) is bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium is CCCCC[N+](CCCCC)(CCCCC)CCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium?
The InChIKey is AXBQPRDJZAPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N.C2F6NO4S2/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-20H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium?
bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium has a molecular weight of 578.73 g/mol, XLogP of 7.62, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tetrapentylazanium is sourced from PubChem (CID 134716531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).