bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium

C15H30F6N2O4S2 — CID 141340044

IUPACbis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium
SMILESCCCCCCC[NH+](C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-11-14(12(2)3)13(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-13H,6-11H2,1-5H3;/q;-1/p+1
InChIKeyWGXIJRJZQLYISJ-UHFFFAOYSA-O
MW480.54 g/mol
LogP3.72
Rot. Bonds10

About bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium

bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium (PubChem CID 141340044) has the molecular formula C15H30F6N2O4S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium
PubChem CID141340044
Molecular FormulaC15H30F6N2O4S2
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Namebis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium
SMILESCCCCCCC[NH+](C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-11-14(12(2)3)13(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-13H,6-11H2,1-5H3;/q;-1/p+1
InChIKeyWGXIJRJZQLYISJ-UHFFFAOYSA-O
XLogP3.72
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Heptyl-ethyl-di-i-propylammonium-bis(trifluoromethylsulfonyl) amide
CID 87089432
Triethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 134716486
Trioctylammonium bis(trifluoromethylsulfonyl)imide
CID 87764843
1-Methyl-propylpiperidinium bis(trifluoromethyl sulfonyl)imide
CID 129830256
Dimethylhexyl(i-propyl)ammonium bis[(trifluoromethyl)sulfonyl]imide
CID 129853798
1-Butyl-2-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 129891607
Dimethylpropylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716423
Dimethylbutylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716439
Dimethylhexylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716479
Dimethyldecylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716522
Tri-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 134716538
1,1,1-trifluoro-N-methyl-N-[(2R)-4-[7-[[(3R)-3-[methyl(trifluoromethylsulfonyl)amino]butyl]amino]heptylamino]butan-2-yl]methanesulfonamide
CID 134884384

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium (CID 141340044) is bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium is CCCCCCC[NH+](C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium?
The InChIKey is WGXIJRJZQLYISJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-11-14(12(2)3)13(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-13H,6-11H2,1-5H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium?
bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium has a molecular weight of 480.54 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;heptyl-di(propan-2-yl)azanium is sourced from PubChem (CID 141340044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).