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

C30H56N8O3 — CID 18716474

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

N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine (PubChem CID 18716474) has the molecular formula C30H56N8O3 and a molecular weight of 576.83 g/mol. Its IUPAC name is N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine.

Molecular Properties

• Compound Name: N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
• PubChem CID: 18716474
• Molecular Formula: C30H56N8O3
• Molecular Weight: 576.83 g/mol
• Exact Mass: 576.45
• IUPAC Name: N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
• SMILES: CON1C(C)(C)CC(N(C)CN(c2nc(C)nc(N3CCOCC3)n2)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C30H56N8O3/c1-22-31-25(35-13-15-41-16-14-35)33-26(32-22)36(24-19-29(6,7)38(40-12)30(8,9)20-24)21-34(10)23-17-27(2,3)37(39-11)28(4,5)18-23/h23-24H,13-21H2,1-12H3
• InChIKey: WGLIRIOKKFSIKT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 82.56 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.83
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine (CID 18716474) is N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine.

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

The canonical SMILES for N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine is CON1C(C)(C)CC(N(C)CN(c2nc(C)nc(N3CCOCC3)n2)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.

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

The InChIKey is WGLIRIOKKFSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N8O3/c1-22-31-25(35-13-15-41-16-14-35)33-26(32-22)36(24-19-29(6,7)38(40-12)30(8,9)20-24)21-34(10)23-17-27(2,3)37(39-11)28(4,5)18-23/h23-24H,13-21H2,1-12H3.

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

N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine has a molecular weight of 576.83 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine is sourced from PubChem (CID 18716474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).