4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

C54H104N14O2 — CID 19090201

About 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090201) has the molecular formula C54H104N14O2 and a molecular weight of 981.52 g/mol. Its IUPAC name is 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090201
• Molecular Formula: C54H104N14O2
• Molecular Weight: 981.52 g/mol
• Exact Mass: 980.85
• IUPAC Name: 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(N)nc(NCCCCCCNc3nc(N)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)n2)CC1(C)C
• InChI: InChI=1S/C54H104N14O2/c1-13-17-19-21-25-29-35-69-67-51(5,6)37-41(38-52(67,7)8)43(31-15-3)59-49-63-45(55)61-47(65-49)57-33-27-23-24-28-34-58-48-62-46(56)64-50(66-48)60-44(32-16-4)42-39-53(9,10)68(54(11,12)40-42)70-36-30-26-22-20-18-14-2/h41-44H,13-40H2,1-12H3,(H4,55,57,59,61,63,65)(H4,56,58,60,62,64,66)
• InChIKey: HEAGUSLMKDGDSQ-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 202.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	981.52
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090201) is 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(N)nc(NCCCCCCNc3nc(N)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)n2)CC1(C)C.

What is the InChIKey of 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HEAGUSLMKDGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H104N14O2/c1-13-17-19-21-25-29-35-69-67-51(5,6)37-41(38-52(67,7)8)43(31-15-3)59-49-63-45(55)61-47(65-49)57-33-27-23-24-28-34-58-48-62-46(56)64-50(66-48)60-44(32-16-4)42-39-53(9,10)68(54(11,12)40-42)70-36-30-26-22-20-18-14-2/h41-44H,13-40H2,1-12H3,(H4,55,57,59,61,63,65)(H4,56,58,60,62,64,66).

What are the key properties of 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 981.52 g/mol, XLogP of 12.59, 35 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).