N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine

C46H80N14O4 — CID 19991794

About N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine

N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine (PubChem CID 19991794) has the molecular formula C46H80N14O4 and a molecular weight of 893.24 g/mol. Its IUPAC name is N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine.

Molecular Properties

• Compound Name: N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine
• PubChem CID: 19991794
• Molecular Formula: C46H80N14O4
• Molecular Weight: 893.24 g/mol
• Exact Mass: 892.65
• IUPAC Name: N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine
• SMILES: CC1(C)CC(NCCCCCCNC2CC(C)(C)N(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C(C)(C)C2)CC(C)(C)N1c1nc(N2CCOCC2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C46H80N14O4/c1-43(2)31-35(32-44(3,4)59(43)41-51-37(55-15-23-61-24-16-55)49-38(52-41)56-17-25-62-26-18-56)47-13-11-9-10-12-14-48-36-33-45(5,6)60(46(7,8)34-36)42-53-39(57-19-27-63-28-20-57)50-40(54-42)58-21-29-64-30-22-58/h35-36,47-48H,9-34H2,1-8H3
• InChIKey: RELKUHWSEMKFOD-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 157.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.24
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine (CID 19991794) is N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine.

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

The canonical SMILES for N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine is CC1(C)CC(NCCCCCCNC2CC(C)(C)N(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C(C)(C)C2)CC(C)(C)N1c1nc(N2CCOCC2)nc(N2CCOCC2)n1.

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

The InChIKey is RELKUHWSEMKFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80N14O4/c1-43(2)31-35(32-44(3,4)59(43)41-51-37(55-15-23-61-24-16-55)49-38(52-41)56-17-25-62-26-18-56)47-13-11-9-10-12-14-48-36-33-45(5,6)60(46(7,8)34-36)42-53-39(57-19-27-63-28-20-57)50-40(54-42)58-21-29-64-30-22-58/h35-36,47-48H,9-34H2,1-8H3.

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

N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine has a molecular weight of 893.24 g/mol, XLogP of 3.89, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine is sourced from PubChem (CID 19991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).