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

C10H20CuF6N2O6S2 — CID 173220496

IUPACcopper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCCNCCNCCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C8H20N2.2CHF3O3S.Cu/c1-3-5-9-7-8-10-6-4-2;2*2-1(3,4)8(5,6)7;/h9-10H,3-8H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyNYYOPWOICVESCR-UHFFFAOYSA-L
MW505.95 g/mol
LogP1.09
Rot. Bonds7

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

copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220496) has the molecular formula C10H20CuF6N2O6S2 and a molecular weight of 505.95 g/mol. Its IUPAC name is copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220496
Molecular FormulaC10H20CuF6N2O6S2
Molecular Weight505.95 g/mol
Exact Mass505.00
IUPAC Namecopper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCCNCCNCCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C8H20N2.2CHF3O3S.Cu/c1-3-5-9-7-8-10-6-4-2;2*2-1(3,4)8(5,6)7;/h9-10H,3-8H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyNYYOPWOICVESCR-UHFFFAOYSA-L
XLogP1.09
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.95
LogP ≤ 51.09
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

N-(3-((2-ammonioethyl)amino)propyl)ethane-1,2-diaminium tris(trifluoromethanesulfonate)
CID 139060503
1-Ethyl-1,5,9-triazoniacyclododecane;tris(trifluoromethanesulfonate)
CID 139182339
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231
1,1,2,2,3,3-hexafluoro-N-[2-(2,2,2-trifluoroethylamino)ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 134214508
1,1,2,2,3,3-hexafluoro-N-(trifluoromethylsulfonyl)-N'-[2-(3,3,3-trifluoropropylamino)ethyl]propane-1,3-disulfonamide
CID 134471854
1,1,2,2,3,3-hexafluoro-N-[2-(propylamino)ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 139318109
1,1,2,2,3,3-hexafluoro-N-[2-[methyl(propyl)amino]ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 139318222
1,1-difluoro-N'-(trifluoromethylsulfonyl)-N-[2-(3,3,3-trifluoropropylamino)ethyl]methanedisulfonamide
CID 139545655
Bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpiperazin-1-ium
CID 140074076
Bis(trifluoromethylsulfonyl)azanide;dipropylazanium
CID 141081545
Bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium
CID 141091350
Bis(trifluoromethylsulfonyl)azanide;ethyl-methyl-propylazanium
CID 141091351

Frequently Asked Questions

What is the IUPAC name of copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220496) is copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate) is CCCNCCNCCC.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'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is NYYOPWOICVESCR-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20N2.2CHF3O3S.Cu/c1-3-5-9-7-8-10-6-4-2;2*2-1(3,4)8(5,6)7;/h9-10H,3-8H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 505.95 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N'-dipropylethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).