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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C99H180N20O6 — CID 22068133

IUPACN,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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C99H180N20O6/c1-84(2)51-67(52-85(3,4)109-84)118(76-102-80(122-71-59-92(17,18)113(35)93(19,20)60-71)107-81(103-76)123-72-61-94(21,22)114(36)95(23,24)62-72)49-45-41-39-43-47-117(75-100-78(120-69-55-88(9,10)111(33)89(11,12)56-69)106-79(101-75)121-70-57-90(13,14)112(34)91(15,16)58-70)48-44-40-42-46-50-119(68-53-86(5,6)110-87(7,8)54-68)77-104-82(124-73-63-96(25,26)115(37)97(27,28)64-73)108-83(105-77)125-74-65-98(29,30)116(38)99(31,32)66-74/h67-74,109-110H,39-66H2,1-38H3
InChIKeyRBTDROMUINCTKU-UHFFFAOYSA-N
MW1746.66 g/mol
LogP17.98
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-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 22068133) has the molecular formula C99H180N20O6 and a molecular weight of 1746.66 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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-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-[6-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID22068133
Molecular FormulaC99H180N20O6
Molecular Weight1746.66 g/mol
Exact Mass1745.44
IUPAC NameN,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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C99H180N20O6/c1-84(2)51-67(52-85(3,4)109-84)118(76-102-80(122-71-59-92(17,18)113(35)93(19,20)60-71)107-81(103-76)123-72-61-94(21,22)114(36)95(23,24)62-72)49-45-41-39-43-47-117(75-100-78(120-69-55-88(9,10)111(33)89(11,12)56-69)106-79(101-75)121-70-57-90(13,14)112(34)91(15,16)58-70)48-44-40-42-46-50-119(68-53-86(5,6)110-87(7,8)54-68)77-104-82(124-73-63-96(25,26)115(37)97(27,28)64-73)108-83(105-77)125-74-65-98(29,30)116(38)99(31,32)66-74/h67-74,109-110H,39-66H2,1-38H3
InChIKeyRBTDROMUINCTKU-UHFFFAOYSA-N
XLogP17.98
TPSA224.61 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.66
LogP ≤ 517.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

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

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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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 22068133) 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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCCCCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is RBTDROMUINCTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H180N20O6/c1-84(2)51-67(52-85(3,4)109-84)118(76-102-80(122-71-59-92(17,18)113(35)93(19,20)60-71)107-81(103-76)123-72-61-94(21,22)114(36)95(23,24)62-72)49-45-41-39-43-47-117(75-100-78(120-69-55-88(9,10)111(33)89(11,12)56-69)106-79(101-75)121-70-57-90(13,14)112(34)91(15,16)58-70)48-44-40-42-46-50-119(68-53-86(5,6)110-87(7,8)54-68)77-104-82(124-73-63-96(25,26)115(37)97(27,28)64-73)108-83(105-77)125-74-65-98(29,30)116(38)99(31,32)66-74/h67-74,109-110H,39-66H2,1-38H3.
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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 1746.66 g/mol, XLogP of 17.98, 31 rotatable bonds, 2 hydrogen bond donors, and 26 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]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 22068133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).