N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C32H60N8O — CID 21305816

About N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 21305816) has the molecular formula C32H60N8O and a molecular weight of 572.89 g/mol. Its IUPAC name is N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

• Compound Name: N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
• PubChem CID: 21305816
• Molecular Formula: C32H60N8O
• Molecular Weight: 572.89 g/mol
• Exact Mass: 572.49
• IUPAC Name: N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
• SMILES: CN(CCCCCCN(c1ncnc(N2CCOCC2)n1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C32H60N8O/c1-29(2)20-25(21-30(3,4)36-29)38(9)14-12-10-11-13-15-40(26-22-31(5,6)37-32(7,8)23-26)28-34-24-33-27(35-28)39-16-18-41-19-17-39/h24-26,36-37H,10-23H2,1-9H3
• InChIKey: IQMRPTOEYMGQTO-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 81.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.89
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?

The IUPAC name of N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 21305816) is N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

What is the SMILES notation for N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?

The canonical SMILES for N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CN(CCCCCCN(c1ncnc(N2CCOCC2)n1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?

The InChIKey is IQMRPTOEYMGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N8O/c1-29(2)20-25(21-30(3,4)36-29)38(9)14-12-10-11-13-15-40(26-22-31(5,6)37-32(7,8)23-26)28-34-24-33-27(35-28)39-16-18-41-19-17-39/h24-26,36-37H,10-23H2,1-9H3.

What are the key properties of N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?

N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 572.89 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N'-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 21305816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).