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

C100H178N24O8 — CID 22068139

IUPACN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCCN(CCN(CCCNc3nc(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)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
InChIInChI=1S/C100H178N24O8/c1-85(2)49-65(50-86(3,4)115(85)33)125-77-103-73(104-78(111-77)126-66-51-87(5,6)116(34)88(7,8)52-66)101-43-41-45-123(75-107-81(129-69-57-93(17,18)119(37)94(19,20)58-69)113-82(108-75)130-70-59-95(21,22)120(38)96(23,24)60-70)47-48-124(76-109-83(131-71-61-97(25,26)121(39)98(27,28)62-71)114-84(110-76)132-72-63-99(29,30)122(40)100(31,32)64-72)46-42-44-102-74-105-79(127-67-53-89(9,10)117(35)90(11,12)54-67)112-80(106-74)128-68-55-91(13,14)118(36)92(15,16)56-68/h65-72H,41-64H2,1-40H3,(H,101,103,104,111)(H,102,105,106,112)
InChIKeyUXDSVJSHNPVOIN-UHFFFAOYSA-N
MW1844.68 g/mol
LogP15.99
Rot. Bonds31

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

N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine (PubChem CID 22068139) has the molecular formula C100H178N24O8 and a molecular weight of 1844.68 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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
PubChem CID22068139
Molecular FormulaC100H178N24O8
Molecular Weight1844.68 g/mol
Exact Mass1843.43
IUPAC NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCCN(CCN(CCCNc3nc(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)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
InChIInChI=1S/C100H178N24O8/c1-85(2)49-65(50-86(3,4)115(85)33)125-77-103-73(104-78(111-77)126-66-51-87(5,6)116(34)88(7,8)52-66)101-43-41-45-123(75-107-81(129-69-57-93(17,18)119(37)94(19,20)58-69)113-82(108-75)130-70-59-95(21,22)120(38)96(23,24)60-70)47-48-124(76-109-83(131-71-61-97(25,26)121(39)98(27,28)62-71)114-84(110-76)132-72-63-99(29,30)122(40)100(31,32)64-72)46-42-44-102-74-105-79(127-67-53-89(9,10)117(35)90(11,12)54-67)112-80(106-74)128-68-55-91(13,14)118(36)92(15,16)56-68/h65-72H,41-64H2,1-40H3,(H,101,103,104,111)(H,102,105,106,112)
InChIKeyUXDSVJSHNPVOIN-UHFFFAOYSA-N
XLogP15.99
TPSA284.98 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.68
LogP ≤ 515.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine with MolForge

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Related Compounds

Antioxidant 119
CID 163763
1,3,5-Triazine-2,4,6-triamine, N2,N2'-1,2-ethanediylbis[N2-[3-[[4,6-bis[butyl(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N4,N6-dibutyl-N4,N6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 160081
3,3',3'',3'''-(1,4-Piperazine-1,4-diylbis(1,3,5-triazine-6,2,4-triylbis(oxymethylene)))tetrakis(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro(5.5)undecane)
CID 56620332
1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis(N-(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N',N''-bis(3-methoxypropyl)-N',N''-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 102438383
Ethanol, 2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-
CID 56842648
Einecs 285-474-9
CID 102438384
1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentakis(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N''-(3-((4-((3-(dimethylamino)propyl)amino)-6-((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-
CID 131632934
4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 14365123
6-N-[3-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 16216989
[4-[3-[[4,6-Bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-butylamino]-6-[2-[[4-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-butylamino]-6-[butyl-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)azaniumyl]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]-butyl-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
CID 18671065
4-N,4-N-bis[3-[[4-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propyl]-2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 19031690
6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 19367387

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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine (CID 22068139) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine is CN1C(C)(C)CC(Oc2nc(NCCCN(CCN(CCCNc3nc(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)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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
The InChIKey is UXDSVJSHNPVOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H178N24O8/c1-85(2)49-65(50-86(3,4)115(85)33)125-77-103-73(104-78(111-77)126-66-51-87(5,6)116(34)88(7,8)52-66)101-43-41-45-123(75-107-81(129-69-57-93(17,18)119(37)94(19,20)58-69)113-82(108-75)130-70-59-95(21,22)120(38)96(23,24)60-70)47-48-124(76-109-83(131-71-61-97(25,26)121(39)98(27,28)62-71)114-84(110-76)132-72-63-99(29,30)122(40)100(31,32)64-72)46-42-44-102-74-105-79(127-67-53-89(9,10)117(35)90(11,12)54-67)112-80(106-74)128-68-55-91(13,14)118(36)92(15,16)56-68/h65-72H,41-64H2,1-40H3,(H,101,103,104,111)(H,102,105,106,112).
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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 1844.68 g/mol, XLogP of 15.99, 31 rotatable bonds, 2 hydrogen bond donors, and 32 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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 22068139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).