N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine

C81H146N18O6 — CID 22068142

About N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine

N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine (PubChem CID 22068142) has the molecular formula C81H146N18O6 and a molecular weight of 1468.18 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine.

Molecular Properties

• Compound Name: N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine
• PubChem CID: 22068142
• Molecular Formula: C81H146N18O6
• Molecular Weight: 1468.18 g/mol
• Exact Mass: 1467.17
• IUPAC Name: N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine
• SMILES: CN1C(C)(C)CC(Oc2nc(NCCCCCCN(CCCCCCNc3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)nc(OC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C81H146N18O6/c1-70(2)43-55(44-71(3,4)93(70)25)100-64-84-61(85-65(90-64)101-56-45-72(5,6)94(26)73(7,8)46-56)82-39-35-31-33-37-41-99(63-88-68(104-59-51-78(17,18)97(29)79(19,20)52-59)92-69(89-63)105-60-53-80(21,22)98(30)81(23,24)54-60)42-38-34-32-36-40-83-62-86-66(102-57-47-74(9,10)95(27)75(11,12)48-57)91-67(87-62)103-58-49-76(13,14)96(28)77(15,16)50-58/h55-60H,31-54H2,1-30H3,(H,82,84,85,90)(H,83,86,87,91)
• InChIKey: LTNAXMJCAFDCDY-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 218.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.18
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine?

The IUPAC name of N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine (CID 22068142) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine.

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

The canonical SMILES for N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine is CN1C(C)(C)CC(Oc2nc(NCCCCCCN(CCCCCCNc3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)nc(OC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.

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

The InChIKey is LTNAXMJCAFDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H146N18O6/c1-70(2)43-55(44-71(3,4)93(70)25)100-64-84-61(85-65(90-64)101-56-45-72(5,6)94(26)73(7,8)46-56)82-39-35-31-33-37-41-99(63-88-68(104-59-51-78(17,18)97(29)79(19,20)52-59)92-69(89-63)105-60-53-80(21,22)98(30)81(23,24)54-60)42-38-34-32-36-40-83-62-86-66(102-57-47-74(9,10)95(27)75(11,12)48-57)91-67(87-62)103-58-49-76(13,14)96(28)77(15,16)50-58/h55-60H,31-54H2,1-30H3,(H,82,84,85,90)(H,83,86,87,91).

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

N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine has a molecular weight of 1468.18 g/mol, XLogP of 14.57, 29 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]hexyl]hexane-1,6-diamine is sourced from PubChem (CID 22068142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).