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

C92H178N16O6 — CID 19090181

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

2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090181) has the molecular formula C92H178N16O6 and a molecular weight of 1604.54 g/mol. Its IUPAC name is 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090181
• Molecular Formula: C92H178N16O6
• Molecular Weight: 1604.54 g/mol
• Exact Mass: 1603.41
• IUPAC Name: 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-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(NCCCCCCNc3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(N(COC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)nc(N(COC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C92H178N16O6/c1-25-31-35-39-45-51-59-111-105-85(7,8)63-73(64-86(105,9)10)77(55-29-5)95-81-97-79(99-83(101-81)103(71-109-23)75-67-89(15,16)107(90(17,18)68-75)113-61-53-47-41-37-33-27-3)93-57-49-43-44-50-58-94-80-98-82(96-78(56-30-6)74-65-87(11,12)106(88(13,14)66-74)112-60-52-46-40-36-32-26-2)102-84(100-80)104(72-110-24)76-69-91(19,20)108(92(21,22)70-76)114-62-54-48-42-38-34-28-4/h73-78H,25-72H2,1-24H3,(H2,93,95,97,99,101)(H2,94,96,98,100,102)
• InChIKey: HRKMWWUKLSMEGA-UHFFFAOYSA-N
• XLogP: 22.87
• TPSA: 200.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 59
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.54
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090181) is 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-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 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-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(NCCCCCCNc3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(N(COC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)nc(N(COC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.

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

The InChIKey is HRKMWWUKLSMEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H178N16O6/c1-25-31-35-39-45-51-59-111-105-85(7,8)63-73(64-86(105,9)10)77(55-29-5)95-81-97-79(99-83(101-81)103(71-109-23)75-67-89(15,16)107(90(17,18)68-75)113-61-53-47-41-37-33-27-3)93-57-49-43-44-50-58-94-80-98-82(96-78(56-30-6)74-65-87(11,12)106(88(13,14)66-74)112-60-52-46-40-36-32-26-2)102-84(100-80)104(72-110-24)76-69-91(19,20)108(92(21,22)70-76)114-62-54-48-42-38-34-28-4/h73-78H,25-72H2,1-24H3,(H2,93,95,97,99,101)(H2,94,96,98,100,102).

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

2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-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 1604.54 g/mol, XLogP of 22.87, 59 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-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 19090181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).