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]amino]propyl]propane-1,3-diamine

C69H122N18O6 — CID 22068148

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]amino]propyl]propane-1,3-diamine
SMILESCC1(C)CC(Oc2nc(NCCCN(CCCNc3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)nc(OC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C69H122N18O6/c1-58(2)31-43(32-59(3,4)81-58)88-52-72-49(73-53(78-52)89-44-33-60(5,6)82-61(7,8)34-44)70-27-25-29-87(51-76-56(92-47-39-66(17,18)85-67(19,20)40-47)80-57(77-51)93-48-41-68(21,22)86-69(23,24)42-48)30-26-28-71-50-74-54(90-45-35-62(9,10)83-63(11,12)36-45)79-55(75-50)91-46-37-64(13,14)84-65(15,16)38-46/h43-48,81-86H,25-42H2,1-24H3,(H,70,72,73,78)(H,71,74,75,79)
InChIKeyCAHZOSLWJVOFFJ-UHFFFAOYSA-N
MW1299.85 g/mol
LogP10.18
Rot. Bonds23

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]amino]propyl]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]amino]propyl]propane-1,3-diamine (PubChem CID 22068148) has the molecular formula C69H122N18O6 and a molecular weight of 1299.85 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]amino]propyl]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]amino]propyl]propane-1,3-diamine
PubChem CID22068148
Molecular FormulaC69H122N18O6
Molecular Weight1299.85 g/mol
Exact Mass1298.98
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]amino]propyl]propane-1,3-diamine
SMILESCC1(C)CC(Oc2nc(NCCCN(CCCNc3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)nc(OC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C69H122N18O6/c1-58(2)31-43(32-59(3,4)81-58)88-52-72-49(73-53(78-52)89-44-33-60(5,6)82-61(7,8)34-44)70-27-25-29-87(51-76-56(92-47-39-66(17,18)85-67(19,20)40-47)80-57(77-51)93-48-41-68(21,22)86-69(23,24)42-48)30-26-28-71-50-74-54(90-45-35-62(9,10)83-63(11,12)36-45)79-55(75-50)91-46-37-64(13,14)84-65(15,16)38-46/h43-48,81-86H,25-42H2,1-24H3,(H,70,72,73,78)(H,71,74,75,79)
InChIKeyCAHZOSLWJVOFFJ-UHFFFAOYSA-N
XLogP10.18
TPSA270.87 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.85
LogP ≤ 510.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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]amino]propyl]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]amino]propyl]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]amino]propyl]propane-1,3-diamine (CID 22068148) 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]amino]propyl]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]amino]propyl]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]amino]propyl]propane-1,3-diamine is CC1(C)CC(Oc2nc(NCCCN(CCCNc3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)nc(OC3CC(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]amino]propyl]propane-1,3-diamine?
The InChIKey is CAHZOSLWJVOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H122N18O6/c1-58(2)31-43(32-59(3,4)81-58)88-52-72-49(73-53(78-52)89-44-33-60(5,6)82-61(7,8)34-44)70-27-25-29-87(51-76-56(92-47-39-66(17,18)85-67(19,20)40-47)80-57(77-51)93-48-41-68(21,22)86-69(23,24)42-48)30-26-28-71-50-74-54(90-45-35-62(9,10)83-63(11,12)36-45)79-55(75-50)91-46-37-64(13,14)84-65(15,16)38-46/h43-48,81-86H,25-42H2,1-24H3,(H,70,72,73,78)(H,71,74,75,79).
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]amino]propyl]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]amino]propyl]propane-1,3-diamine has a molecular weight of 1299.85 g/mol, XLogP of 10.18, 23 rotatable bonds, 8 hydrogen bond donors, and 24 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]amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 22068148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).