N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate

C169H330N20O27 — CID 159296734

About N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate

N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate (PubChem CID 159296734) has the molecular formula C169H330N20O27 and a molecular weight of 3074.61 g/mol. Its IUPAC name is N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate.

Molecular Properties

• Compound Name: N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate
• PubChem CID: 159296734
• Molecular Formula: C169H330N20O27
• Molecular Weight: 3074.61 g/mol
• Exact Mass: 3072.51
• IUPAC Name: N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate
• SMILES: CC1(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COCCN(CCOCC2CC(C)(C)N(O)C2(C)C)CCOCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COCCN(CCOCC2CC(C)(C)NC2(C)C)CCOCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(C)C2(C)C)C1(C)C.CN1C(C)(C)CC(COCCN(CCOCC2CC(C)(C)NC2(C)C)CCOCC2CC(C)(C)N(C)C2(C)C)C1(C)C.O.O
• InChI: InChI=1S/C35H64N4O6.C35H70N4O3.C33H60N4O8.C33H66N4O5.C33H66N4O3.2H2O/c1-30(2)15-24(33(7,8)36-30)21-43-27(40)18-39(19-28(41)44-22-25-16-31(3,4)37(13)34(25,9)10)20-29(42)45-23-26-17-32(5,6)38(14)35(26,11)12;1-30(2)21-27(33(7,8)36-30)24-40-18-15-39(16-19-41-25-28-22-31(3,4)37(13)34(28,9)10)17-20-42-26-29-23-32(5,6)38(14)35(29,11)12;1-28(2)13-22(31(7,8)34-28)19-43-25(38)16-35(17-26(39)44-20-23-14-29(3,4)36(41)32(23,9)10)18-27(40)45-21-24-15-30(5,6)37(42)33(24,11)12;1-28(2)19-25(31(7,8)34-28)22-40-16-13-35(14-17-41-23-26-20-29(3,4)36(38)32(26,9)10)15-18-42-24-27-21-30(5,6)37(39)33(27,11)12;1-28(2)19-25(31(7,8)34-28)22-38-16-13-37(14-17-39-23-26-20-29(3,4)35-32(26,9)10)15-18-40-24-27-21-30(5,6)36-33(27,11)12;;/h24-26,36H,15-23H2,1-14H3;27-29,36H,15-26H2,1-14H3;22-24,34,41-42H,13-21H2,1-12H3;25-27,34,38-39H,13-24H2,1-12H3;25-27,34-36H,13-24H2,1-12H3;2*1H2
• InChIKey: JRKIFGJBTHJWQV-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 511.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 45
• Rotatable Bonds: 69
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3074.61
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate?

The IUPAC name of N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate (CID 159296734) is N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate.

What is the SMILES notation for N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate?

The canonical SMILES for N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate is CC1(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)N(O)C2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COCCN(CCOCC2CC(C)(C)N(O)C2(C)C)CCOCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(COCCN(CCOCC2CC(C)(C)NC2(C)C)CCOCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(C)C2(C)C)C1(C)C.CN1C(C)(C)CC(COCCN(CCOCC2CC(C)(C)NC2(C)C)CCOCC2CC(C)(C)N(C)C2(C)C)C1(C)C.O.O.

What is the InChIKey of N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate?

The InChIKey is JRKIFGJBTHJWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N4O6.C35H70N4O3.C33H60N4O8.C33H66N4O5.C33H66N4O3.2H2O/c1-30(2)15-24(33(7,8)36-30)21-43-27(40)18-39(19-28(41)44-22-25-16-31(3,4)37(13)34(25,9)10)20-29(42)45-23-26-17-32(5,6)38(14)35(26,11)12;1-30(2)21-27(33(7,8)36-30)24-40-18-15-39(16-19-41-25-28-22-31(3,4)37(13)34(28,9)10)17-20-42-26-29-23-32(5,6)38(14)35(29,11)12;1-28(2)13-22(31(7,8)34-28)19-43-25(38)16-35(17-26(39)44-20-23-14-29(3,4)36(41)32(23,9)10)18-27(40)45-21-24-15-30(5,6)37(42)33(24,11)12;1-28(2)19-25(31(7,8)34-28)22-40-16-13-35(14-17-41-23-26-20-29(3,4)36(38)32(26,9)10)15-18-42-24-27-21-30(5,6)37(39)33(27,11)12;1-28(2)19-25(31(7,8)34-28)22-38-16-13-37(14-17-39-23-26-20-29(3,4)35-32(26,9)10)15-18-40-24-27-21-30(5,6)36-33(27,11)12;;/h24-26,36H,15-23H2,1-14H3;27-29,36H,15-26H2,1-14H3;22-24,34,41-42H,13-21H2,1-12H3;25-27,34,38-39H,13-24H2,1-12H3;25-27,34-36H,13-24H2,1-12H3;2*1H2.

What are the key properties of N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate?

N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate has a molecular weight of 3074.61 g/mol, XLogP of 21.48, 69 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate is sourced from PubChem (CID 159296734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).