copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)

C12H24CuF6N2O6S2 — CID 173220164

IUPACcopper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCC(C)(C)NCCNC(C)(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C10H24N2.2CHF3O3S.Cu/c1-9(2,3)11-7-8-12-10(4,5)6;2*2-1(3,4)8(5,6)7;/h11-12H,7-8H2,1-6H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyLIQNTIWXXKXTLY-UHFFFAOYSA-L
MW534.00 g/mol
LogP1.86
Rot. Bonds3

About copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)

copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220164) has the molecular formula C12H24CuF6N2O6S2 and a molecular weight of 534.00 g/mol. Its IUPAC name is copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220164
Molecular FormulaC12H24CuF6N2O6S2
Molecular Weight534.00 g/mol
Exact Mass533.03
IUPAC Namecopper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCC(C)(C)NCCNC(C)(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C10H24N2.2CHF3O3S.Cu/c1-9(2,3)11-7-8-12-10(4,5)6;2*2-1(3,4)8(5,6)7;/h11-12H,7-8H2,1-6H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyLIQNTIWXXKXTLY-UHFFFAOYSA-L
XLogP1.86
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.00
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Dimethylpropylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716423
N-(1,1-difluoroethylsulfonyl)-1,1,2,3,3-pentafluoro-2-methyl-N'-[2-(methylamino)ethyl]propane-1,3-disulfonamide
CID 144518135
Tert-butylazanium;methane;methylsulfonyl(trifluoromethylsulfonyl)azanide;triethylazanium;trifluoromethanesulfonate
CID 161957054
N-[2-(tert-butylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 170081663
copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220200
copper;N,N'-dibutylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220446
copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220477
copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220496
acetonitrile;copper(1+);N,N'-ditert-butylethane-1,2-diamine;trifluoromethanesulfonate
CID 11327764
N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide
CID 64553354

Frequently Asked Questions

What is the IUPAC name of copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220164) is copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate) is CC(C)(C)NCCNC(C)(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is LIQNTIWXXKXTLY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H24N2.2CHF3O3S.Cu/c1-9(2,3)11-7-8-12-10(4,5)6;2*2-1(3,4)8(5,6)7;/h11-12H,7-8H2,1-6H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 534.00 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).