3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one

C38H75N13O2 — CID 21055536

About 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one (PubChem CID 21055536) has the molecular formula C38H75N13O2 and a molecular weight of 746.11 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one.

Molecular Properties

• Compound Name: 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
• PubChem CID: 21055536
• Molecular Formula: C38H75N13O2
• Molecular Weight: 746.11 g/mol
• Exact Mass: 745.62
• IUPAC Name: 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
• SMILES: CNCCCN(C)CCN(C)CCCNc1nc(NC(C)(C)CN2CC(C)(C)NC(C)(C)C2=O)nc(NC(C)(C)CN2CC(C)(C)NC(C)(C)C2=O)n1
• InChI: InChI=1S/C38H75N13O2/c1-33(2,24-50-26-35(5,6)46-37(9,10)28(50)52)44-31-41-30(40-19-17-21-49(15)23-22-48(14)20-16-18-39-13)42-32(43-31)45-34(3,4)25-51-27-36(7,8)47-38(11,12)29(51)53/h39,46-47H,16-27H2,1-15H3,(H3,40,41,42,43,44,45)
• InChIKey: RCTCOALSYBETAE-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 157.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	746.11
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The IUPAC name of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one (CID 21055536) is 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one.

What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one is CNCCCN(C)CCN(C)CCCNc1nc(NC(C)(C)CN2CC(C)(C)NC(C)(C)C2=O)nc(NC(C)(C)CN2CC(C)(C)NC(C)(C)C2=O)n1.

What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The InChIKey is RCTCOALSYBETAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75N13O2/c1-33(2,24-50-26-35(5,6)46-37(9,10)28(50)52)44-31-41-30(40-19-17-21-49(15)23-22-48(14)20-16-18-39-13)42-32(43-31)45-34(3,4)25-51-27-36(7,8)47-38(11,12)29(51)53/h39,46-47H,16-27H2,1-15H3,(H3,40,41,42,43,44,45).

What are the key properties of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one has a molecular weight of 746.11 g/mol, XLogP of 2.51, 20 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one is sourced from PubChem (CID 21055536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).