copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)

C10H20CuF6N2O6S2 — CID 173220477

IUPACcopper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCC(C)NCCNC(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C8H20N2.2CHF3O3S.Cu/c1-7(2)9-5-6-10-8(3)4;2*2-1(3,4)8(5,6)7;/h7-10H,5-6H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyTYTIQWDAWCHBQV-UHFFFAOYSA-L
MW505.95 g/mol
LogP1.08
Rot. Bonds5

About copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)

copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220477) has the molecular formula C10H20CuF6N2O6S2 and a molecular weight of 505.95 g/mol. Its IUPAC name is copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220477
Molecular FormulaC10H20CuF6N2O6S2
Molecular Weight505.95 g/mol
Exact Mass505.00
IUPAC Namecopper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCC(C)NCCNC(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C8H20N2.2CHF3O3S.Cu/c1-7(2)9-5-6-10-8(3)4;2*2-1(3,4)8(5,6)7;/h7-10H,5-6H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyTYTIQWDAWCHBQV-UHFFFAOYSA-L
XLogP1.08
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.95
LogP ≤ 51.08
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

Bis(trifluoromethylsulfonyl)azanide;cyanomethyl-di(propan-2-yl)azanium
CID 140066367
Bis(trifluoromethylsulfonyl)azanide;ethyl-di(propan-2-yl)azanium
CID 140310575
Bis(trifluoromethylsulfonyl)azanide;dipropylazanium
CID 141081545
copper;N,N'-ditert-butylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220164
copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220200
copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220308
copper;N,N'-dibutylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220446
copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220496
N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 175253712
N-propan-2-ylpropan-2-amine;bis(trifluoromethanesulfonic acid);1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 175253713
1,1,1-trifluoro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl]amino]butan-2-yl]methanesulfonamide
CID 11004890
N-methyl-N-{2-[(3,3,3-trifluoro-1-methylpropyl)amino]ethyl}methanesulfonamide
CID 56701258

Frequently Asked Questions

What is the IUPAC name of copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220477) is copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate) is CC(C)NCCNC(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'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is TYTIQWDAWCHBQV-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20N2.2CHF3O3S.Cu/c1-7(2)9-5-6-10-8(3)4;2*2-1(3,4)8(5,6)7;/h7-10H,5-6H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 505.95 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N'-di(propan-2-yl)ethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).