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

C66H120N14O4 — CID 54031609

IUPACN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(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)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C66H120N14O4/c1-55(2)31-43(32-56(3,4)73-55)79(49-67-51(81-45-35-59(9,10)75(25)60(11,12)36-45)71-52(68-49)82-46-37-61(13,14)76(26)62(15,16)38-46)29-30-80(44-33-57(5,6)74-58(7,8)34-44)50-69-53(83-47-39-63(17,18)77(27)64(19,20)40-47)72-54(70-50)84-48-41-65(21,22)78(28)66(23,24)42-48/h43-48,73-74H,29-42H2,1-28H3
InChIKeyLFZOJQBSBJAQBM-UHFFFAOYSA-N
MW1173.78 g/mol
LogP11.11
Rot. Bonds15

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

N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 54031609) has the molecular formula C66H120N14O4 and a molecular weight of 1173.78 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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID54031609
Molecular FormulaC66H120N14O4
Molecular Weight1173.78 g/mol
Exact Mass1172.96
IUPAC NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(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)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C66H120N14O4/c1-55(2)31-43(32-56(3,4)73-55)79(49-67-51(81-45-35-59(9,10)75(25)60(11,12)36-45)71-52(68-49)82-46-37-61(13,14)76(26)62(15,16)38-46)29-30-80(44-33-57(5,6)74-58(7,8)34-44)50-69-53(83-47-39-63(17,18)77(27)64(19,20)40-47)72-54(70-50)84-48-41-65(21,22)78(28)66(23,24)42-48/h43-48,73-74H,29-42H2,1-28H3
InChIKeyLFZOJQBSBJAQBM-UHFFFAOYSA-N
XLogP11.11
TPSA157.76 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.78
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (CID 54031609) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is CN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(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)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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is LFZOJQBSBJAQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H120N14O4/c1-55(2)31-43(32-56(3,4)73-55)79(49-67-51(81-45-35-59(9,10)75(25)60(11,12)36-45)71-52(68-49)82-46-37-61(13,14)76(26)62(15,16)38-46)29-30-80(44-33-57(5,6)74-58(7,8)34-44)50-69-53(83-47-39-63(17,18)77(27)64(19,20)40-47)72-54(70-50)84-48-41-65(21,22)78(28)66(23,24)42-48/h43-48,73-74H,29-42H2,1-28H3.
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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 1173.78 g/mol, XLogP of 11.11, 15 rotatable bonds, 2 hydrogen bond donors, and 18 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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 54031609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).