2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C121H233N23O5 — CID 156682201

About 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 156682201) has the molecular formula C121H233N23O5 and a molecular weight of 2090.35 g/mol. Its IUPAC name is 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 156682201
• Molecular Formula: C121H233N23O5
• Molecular Weight: 2090.35 g/mol
• Exact Mass: 2088.87
• IUPAC Name: 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(OCCC)C(C)(C)C3)C3CC(C)(C)N(OCCC)C(C)(C)C3)n2)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1
• InChI: InChI=1S/C121H233N23O5/c1-35-49-70-131(71-50-36-2)103-122-104(132(72-51-37-3)73-52-38-4)125-107(124-103)136(99-90-114(19,20)141(146-84-45-11)115(21,22)91-99)79-66-62-58-60-64-68-81-138(101-94-118(27,28)143(148-86-47-13)119(29,30)95-101)110-128-109(135(78-57-43-9)98-88-112(15,16)140(145-83-44-10)113(17,18)89-98)129-111(130-110)139(102-96-120(31,32)144(149-87-48-14)121(33,34)97-102)82-69-65-61-59-63-67-80-137(100-92-116(23,24)142(147-85-46-12)117(25,26)93-100)108-126-105(133(74-53-39-5)75-54-40-6)123-106(127-108)134(76-55-41-7)77-56-42-8/h98-102H,35-97H2,1-34H3
• InChIKey: APNIQOIKHXYIPZ-UHFFFAOYSA-N
• XLogP: 28.60
• TPSA: 207.52 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 74
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.35
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 156682201) is 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(OCCC)C(C)(C)C3)C3CC(C)(C)N(OCCC)C(C)(C)C3)n2)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1.

What is the InChIKey of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is APNIQOIKHXYIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H233N23O5/c1-35-49-70-131(71-50-36-2)103-122-104(132(72-51-37-3)73-52-38-4)125-107(124-103)136(99-90-114(19,20)141(146-84-45-11)115(21,22)91-99)79-66-62-58-60-64-68-81-138(101-94-118(27,28)143(148-86-47-13)119(29,30)95-101)110-128-109(135(78-57-43-9)98-88-112(15,16)140(145-83-44-10)113(17,18)89-98)129-111(130-110)139(102-96-120(31,32)144(149-87-48-14)121(33,34)97-102)82-69-65-61-59-63-67-80-137(100-92-116(23,24)142(147-85-46-12)117(25,26)93-100)108-126-105(133(74-53-39-5)75-54-40-6)123-106(127-108)134(76-55-41-7)77-56-42-8/h98-102H,35-97H2,1-34H3.

What are the key properties of 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2090.35 g/mol, XLogP of 28.60, 74 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[8-[[4-[8-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]octyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 156682201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).