4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C98H186N18O6 — CID 131993898

About 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 131993898) has the molecular formula C98H186N18O6 and a molecular weight of 1712.69 g/mol. Its IUPAC name is 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 131993898
• Molecular Formula: C98H186N18O6
• Molecular Weight: 1712.69 g/mol
• Exact Mass: 1711.48
• IUPAC Name: 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(c1nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OCCC)C4(C)CC34)n2)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(OC)C2)n1)C1CC(C)(C)N(OCCC)C(C)(C)C1
• InChI: InChI=1S/C98H186N18O6/c1-34-43-51-106(74-63-88(12,13)112(118-57-38-5)89(14,15)64-74)81-99-82(108(53-45-36-3)78-62-87(10,11)105(32)98(31,71-78)117-33)101-83(100-81)109(76-67-92(20,21)114(120-59-40-7)93(22,23)68-76)55-49-47-48-50-56-110(77-69-94(24,25)115(121-60-41-8)95(26,27)70-77)85-102-84(107(52-44-35-2)75-65-90(16,17)113(119-58-39-6)91(18,19)66-75)103-86(104-85)111(54-46-37-4)80-73-96(28,29)116(122-61-42-9)97(30)72-79(80)97/h74-80H,34-73H2,1-33H3
• InChIKey: BUOBIOHQZNIASI-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 171.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 47
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.69
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	0
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 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 131993898) is 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(OCCC)C4(C)CC34)n2)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(OC)C2)n1)C1CC(C)(C)N(OCCC)C(C)(C)C1.

What is the InChIKey of 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is BUOBIOHQZNIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H186N18O6/c1-34-43-51-106(74-63-88(12,13)112(118-57-38-5)89(14,15)64-74)81-99-82(108(53-45-36-3)78-62-87(10,11)105(32)98(31,71-78)117-33)101-83(100-81)109(76-67-92(20,21)114(120-59-40-7)93(22,23)68-76)55-49-47-48-50-56-110(77-69-94(24,25)115(121-60-41-8)95(26,27)70-77)85-102-84(107(52-44-35-2)75-65-90(16,17)113(119-58-39-6)91(18,19)66-75)103-86(104-85)111(54-46-37-4)80-73-96(28,29)116(122-61-42-9)97(30)72-79(80)97/h74-80H,34-73H2,1-33H3.

What are the key properties of 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1712.69 g/mol, XLogP of 21.02, 47 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-dibutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(1,3,3-trimethyl-2-propoxy-2-azabicyclo[4.1.0]heptan-5-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N-(2-methoxy-1,2,6,6-tetramethylpiperidin-4-yl)-2-N,6-N-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 131993898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).