N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine

C37H70N8O — CID 59689310

About N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine

N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine (PubChem CID 59689310) has the molecular formula C37H70N8O and a molecular weight of 643.02 g/mol. Its IUPAC name is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine.

Molecular Properties

• Compound Name: N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine
• PubChem CID: 59689310
• Molecular Formula: C37H70N8O
• Molecular Weight: 643.02 g/mol
• Exact Mass: 642.57
• IUPAC Name: N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine
• SMILES: Cc1nc(N2CCOCC2)nc(N(CCCCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C37H70N8O/c1-29-38-32(44-21-23-46-24-22-44)40-33(39-29)45(31-27-36(6,7)43(12)37(8,9)28-31)20-18-16-14-13-15-17-19-41(10)30-25-34(2,3)42(11)35(4,5)26-30/h30-31H,13-28H2,1-12H3
• InChIKey: DOSPITHQBOMIOM-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 64.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.02
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
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-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine?

The IUPAC name of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine (CID 59689310) is N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine.

What is the SMILES notation for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine?

The canonical SMILES for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine is Cc1nc(N2CCOCC2)nc(N(CCCCCCCCN(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 N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine?

The InChIKey is DOSPITHQBOMIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N8O/c1-29-38-32(44-21-23-46-24-22-44)40-33(39-29)45(31-27-36(6,7)43(12)37(8,9)28-31)20-18-16-14-13-15-17-19-41(10)30-25-34(2,3)42(11)35(4,5)26-30/h30-31H,13-28H2,1-12H3.

What are the key properties of N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine?

N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine has a molecular weight of 643.02 g/mol, XLogP of 6.40, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)octane-1,8-diamine is sourced from PubChem (CID 59689310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).