2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)

C30H44F6MnN6O6S2 — CID 139147216

About 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)

2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate) (PubChem CID 139147216) has the molecular formula C30H44F6MnN6O6S2 and a molecular weight of 817.78 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)
• PubChem CID: 139147216
• Molecular Formula: C30H44F6MnN6O6S2
• Molecular Weight: 817.78 g/mol
• Exact Mass: 817.20
• IUPAC Name: 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)
• SMILES: Cc1cnc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2ncc(C)c(N(C)C)c2C)c(C)c1N(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2]
• InChI: InChI=1S/C28H44N6.2CHF3O3S.Mn/c1-19-15-29-23(21(3)27(19)31(5)6)17-33-13-9-11-25(33)26-12-10-14-34(26)18-24-22(4)28(32(7)8)20(2)16-30-24;2*2-1(3,4)8(5,6)7;/h15-16,25-26H,9-14,17-18H2,1-8H3;2*(H,5,6,7);/q;;;+2/p-2/t25-,26-;;;/m0.../s1
• InChIKey: LHGGDVQJOKLTBO-RDZXZRSHSA-L
• XLogP: 4.57
• TPSA: 153.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.78
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)?

The IUPAC name of 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate) (CID 139147216) is 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate).

What is the SMILES notation for 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)?

The canonical SMILES for 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate) is Cc1cnc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2ncc(C)c(N(C)C)c2C)c(C)c1N(C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].

What is the InChIKey of 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)?

The InChIKey is LHGGDVQJOKLTBO-RDZXZRSHSA-L. The full InChI is InChI=1S/C28H44N6.2CHF3O3S.Mn/c1-19-15-29-23(21(3)27(19)31(5)6)17-33-13-9-11-25(33)26-12-10-14-34(26)18-24-22(4)28(32(7)8)20(2)16-30-24;2*2-1(3,4)8(5,6)7;/h15-16,25-26H,9-14,17-18H2,1-8H3;2*(H,5,6,7);/q;;;+2/p-2/t25-,26-;;;/m0.../s1.

What are the key properties of 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate)?

2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate) has a molecular weight of 817.78 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-2-[(2S)-1-[[4-(dimethylamino)-3,5-dimethyl-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N,3,5-tetramethylpyridin-4-amine;manganese(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139147216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).