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

C75H134N18O6 — CID 22068144

IUPACN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCCN(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)nc(OC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C75H134N18O6/c1-64(2)37-49(38-65(3,4)87(64)25)94-58-78-55(79-59(84-58)95-50-39-66(5,6)88(26)67(7,8)40-50)76-33-31-35-93(57-82-62(98-53-45-72(17,18)91(29)73(19,20)46-53)86-63(83-57)99-54-47-74(21,22)92(30)75(23,24)48-54)36-32-34-77-56-80-60(96-51-41-68(9,10)89(27)69(11,12)42-51)85-61(81-56)97-52-43-70(13,14)90(28)71(15,16)44-52/h49-54H,31-48H2,1-30H3,(H,76,78,79,84)(H,77,80,81,85)
InChIKeyCJDOKDZATZASJB-UHFFFAOYSA-N
MW1384.02 g/mol
LogP12.23
Rot. Bonds23

About N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine (PubChem CID 22068144) has the molecular formula C75H134N18O6 and a molecular weight of 1384.02 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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine
PubChem CID22068144
Molecular FormulaC75H134N18O6
Molecular Weight1384.02 g/mol
Exact Mass1383.07
IUPAC NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCCN(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)nc(OC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C75H134N18O6/c1-64(2)37-49(38-65(3,4)87(64)25)94-58-78-55(79-59(84-58)95-50-39-66(5,6)88(26)67(7,8)40-50)76-33-31-35-93(57-82-62(98-53-45-72(17,18)91(29)73(19,20)46-53)86-63(83-57)99-54-47-74(21,22)92(30)75(23,24)48-54)36-32-34-77-56-80-60(96-51-41-68(9,10)89(27)69(11,12)42-51)85-61(81-56)97-52-43-70(13,14)90(28)71(15,16)44-52/h49-54H,31-48H2,1-30H3,(H,76,78,79,84)(H,77,80,81,85)
InChIKeyCJDOKDZATZASJB-UHFFFAOYSA-N
XLogP12.23
TPSA218.13 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001384.02
LogP ≤ 512.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-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[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-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[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine (CID 22068144) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-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[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-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[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine is CN1C(C)(C)CC(Oc2nc(NCCCN(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)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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine?
The InChIKey is CJDOKDZATZASJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H134N18O6/c1-64(2)37-49(38-65(3,4)87(64)25)94-58-78-55(79-59(84-58)95-50-39-66(5,6)88(26)67(7,8)40-50)76-33-31-35-93(57-82-62(98-53-45-72(17,18)91(29)73(19,20)46-53)86-63(83-57)99-54-47-74(21,22)92(30)75(23,24)48-54)36-32-34-77-56-80-60(96-51-41-68(9,10)89(27)69(11,12)42-51)85-61(81-56)97-52-43-70(13,14)90(28)71(15,16)44-52/h49-54H,31-48H2,1-30H3,(H,76,78,79,84)(H,77,80,81,85).
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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine has a molecular weight of 1384.02 g/mol, XLogP of 12.23, 23 rotatable bonds, 2 hydrogen bond donors, and 24 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'-[3-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 22068144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).