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

C87H156N20O6 — CID 22068149

IUPACN,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C87H156N20O6/c1-72(2)39-55(40-73(3,4)97-72)106(64-90-68(110-59-47-80(17,18)101-81(19,20)48-59)95-69(91-64)111-60-49-82(21,22)102-83(23,24)50-60)37-33-35-105(63-88-66(108-57-43-76(9,10)99-77(11,12)44-57)94-67(89-63)109-58-45-78(13,14)100-79(15,16)46-58)36-34-38-107(56-41-74(5,6)98-75(7,8)42-56)65-92-70(112-61-51-84(25,26)103-85(27,28)52-61)96-71(93-65)113-62-53-86(29,30)104-87(31,32)54-62/h55-62,97-104H,33-54H2,1-32H3
InChIKeyIMABXFDNQSFBBY-UHFFFAOYSA-N
MW1578.34 g/mol
LogP13.59
Rot. Bonds25

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

N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 22068149) has the molecular formula C87H156N20O6 and a molecular weight of 1578.34 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID22068149
Molecular FormulaC87H156N20O6
Molecular Weight1578.34 g/mol
Exact Mass1577.25
IUPAC NameN,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C87H156N20O6/c1-72(2)39-55(40-73(3,4)97-72)106(64-90-68(110-59-47-80(17,18)101-81(19,20)48-59)95-69(91-64)111-60-49-82(21,22)102-83(23,24)50-60)37-33-35-105(63-88-66(108-57-43-76(9,10)99-77(11,12)44-57)94-67(89-63)109-58-45-78(13,14)100-79(15,16)46-58)36-34-38-107(56-41-74(5,6)98-75(7,8)42-56)65-92-70(112-61-51-84(25,26)103-85(27,28)52-61)96-71(93-65)113-62-53-86(29,30)104-87(31,32)54-62/h55-62,97-104H,33-54H2,1-32H3
InChIKeyIMABXFDNQSFBBY-UHFFFAOYSA-N
XLogP13.59
TPSA277.35 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.34
LogP ≤ 513.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (CID 22068149) is N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is CC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)CCCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is IMABXFDNQSFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H156N20O6/c1-72(2)39-55(40-73(3,4)97-72)106(64-90-68(110-59-47-80(17,18)101-81(19,20)48-59)95-69(91-64)111-60-49-82(21,22)102-83(23,24)50-60)37-33-35-105(63-88-66(108-57-43-76(9,10)99-77(11,12)44-57)94-67(89-63)109-58-45-78(13,14)100-79(15,16)46-58)36-34-38-107(56-41-74(5,6)98-75(7,8)42-56)65-92-70(112-61-51-84(25,26)103-85(27,28)52-61)96-71(93-65)113-62-53-86(29,30)104-87(31,32)54-62/h55-62,97-104H,33-54H2,1-32H3.
What are the key properties of N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 1578.34 g/mol, XLogP of 13.59, 25 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N-[3-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 22068149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).