2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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

C117H225N23O5 — CID 22891720

About 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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 22891720) has the molecular formula C117H225N23O5 and a molecular weight of 2034.24 g/mol. Its IUPAC name is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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: 22891720
• Molecular Formula: C117H225N23O5
• Molecular Weight: 2034.24 g/mol
• Exact Mass: 2032.81
• IUPAC Name: 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCCCCN(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/C117H225N23O5/c1-35-49-66-127(67-50-36-2)99-118-100(128(68-51-37-3)69-52-38-4)121-103(120-99)132(95-86-110(19,20)137(142-80-45-11)111(21,22)87-95)75-62-58-60-64-77-134(97-90-114(27,28)139(144-82-47-13)115(29,30)91-97)106-124-105(131(74-57-43-9)94-84-108(15,16)136(141-79-44-10)109(17,18)85-94)125-107(126-106)135(98-92-116(31,32)140(145-83-48-14)117(33,34)93-98)78-65-61-59-63-76-133(96-88-112(23,24)138(143-81-46-12)113(25,26)89-96)104-122-101(129(70-53-39-5)71-54-40-6)119-102(123-104)130(72-55-41-7)73-56-42-8/h94-98H,35-93H2,1-34H3
• InChIKey: YCEHMRHCWRSGJK-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 207.52 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 70
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.24
LogP ≤ 5	27.04
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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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 22891720) is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(OCCC)C(C)(C)C3)nc(N(CCCCCCN(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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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 YCEHMRHCWRSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H225N23O5/c1-35-49-66-127(67-50-36-2)99-118-100(128(68-51-37-3)69-52-38-4)121-103(120-99)132(95-86-110(19,20)137(142-80-45-11)111(21,22)87-95)75-62-58-60-64-77-134(97-90-114(27,28)139(144-82-47-13)115(29,30)91-97)106-124-105(131(74-57-43-9)94-84-108(15,16)136(141-79-44-10)109(17,18)85-94)125-107(126-106)135(98-92-116(31,32)140(145-83-48-14)117(33,34)93-98)78-65-61-59-63-76-133(96-88-112(23,24)138(143-81-46-12)113(25,26)89-96)104-122-101(129(70-53-39-5)71-54-40-6)119-102(123-104)130(72-55-41-7)73-56-42-8/h94-98H,35-93H2,1-34H3.

What are the key properties of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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 2034.24 g/mol, XLogP of 27.04, 70 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(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]hexyl]-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 22891720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).