4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine

C36H67N7O — CID 21305852

About 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine

4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (PubChem CID 21305852) has the molecular formula C36H67N7O and a molecular weight of 613.98 g/mol. Its IUPAC name is 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
• PubChem CID: 21305852
• Molecular Formula: C36H67N7O
• Molecular Weight: 613.98 g/mol
• Exact Mass: 613.54
• IUPAC Name: 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine
• SMILES: Cc1nc(N2CCOCC2)nc(N(CCCCCCC(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C36H67N7O/c1-27(29-23-33(3,4)40(11)34(5,6)24-29)17-15-13-14-16-18-43(30-25-35(7,8)41(12)36(9,10)26-30)32-38-28(2)37-31(39-32)42-19-21-44-22-20-42/h27,29-30H,13-26H2,1-12H3
• InChIKey: YIHDUXQCVQXILD-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 60.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.98
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine (CID 21305852) is 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is Cc1nc(N2CCOCC2)nc(N(CCCCCCC(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1.

What is the InChIKey of 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?

The InChIKey is YIHDUXQCVQXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N7O/c1-27(29-23-33(3,4)40(11)34(5,6)24-29)17-15-13-14-16-18-43(30-25-35(7,8)41(12)36(9,10)26-30)32-38-28(2)37-31(39-32)42-19-21-44-22-20-42/h27,29-30H,13-26H2,1-12H3.

What are the key properties of 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine?

4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine has a molecular weight of 613.98 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-morpholin-4-yl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)octyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 21305852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).