N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)

C18H22F6MnN4O6S2 — CID 139119575

IUPACN,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)
SMILESCN(CCN(C)Cc1ccccn1)Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2]
InChIInChI=1S/C16H22N4.2CHF3O3S.Mn/c1-19(13-15-7-3-5-9-17-15)11-12-20(2)14-16-8-4-6-10-18-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-14H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyUYCWODRUPANKSB-UHFFFAOYSA-L
MW623.46 g/mol
LogP2.14
Rot. Bonds7

About N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)

N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate) (PubChem CID 139119575) has the molecular formula C18H22F6MnN4O6S2 and a molecular weight of 623.46 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)
PubChem CID139119575
Molecular FormulaC18H22F6MnN4O6S2
Molecular Weight623.46 g/mol
Exact Mass623.03
IUPAC NameN,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)
SMILESCN(CCN(C)Cc1ccccn1)Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2]
InChIInChI=1S/C16H22N4.2CHF3O3S.Mn/c1-19(13-15-7-3-5-9-17-15)11-12-20(2)14-16-8-4-6-10-18-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-14H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyUYCWODRUPANKSB-UHFFFAOYSA-L
XLogP2.14
TPSA146.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;manganese(2+);bis(trifluoromethanesulfonate)
CID 24897125
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53313418
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(5+);oxidanide;oxygen(2-);trifluoromethanesulfonate
CID 53313446
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(5+);oxidanide;oxygen-18(2-);trifluoromethanesulfonate
CID 53313449
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(5+);oxygen(2-);trifluoromethanesulfonate;hydroxide
CID 53313458
[Fe(OTf)2(Me2Pytacn)]
CID 53313461
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(5+);oxygen-18(2-);trifluoromethanesulfonate;hydroxide
CID 53313464
CID 53313465
CID 53313465
[Fe(OTf)2(bpbp)]
CID 53314869
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;nickel(2+);bis(trifluoromethanesulfonate)
CID 53314870
Cobalt(2+);1,4-dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;bis(trifluoromethanesulfonate)
CID 53314871
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate) (CID 139119575) is N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate) is CN(CCN(C)Cc1ccccn1)Cc1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].
What is the InChIKey of N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)?
The InChIKey is UYCWODRUPANKSB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22N4.2CHF3O3S.Mn/c1-19(13-15-7-3-5-9-17-15)11-12-20(2)14-16-8-4-6-10-18-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-14H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate)?
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate) has a molecular weight of 623.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;manganese(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139119575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).