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

C73H130N18O6 — CID 22068155

IUPACN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCN(CCNc3nc(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/C73H130N18O6/c1-62(2)35-47(36-63(3,4)85(62)25)92-56-76-53(77-57(82-56)93-48-37-64(5,6)86(26)65(7,8)38-48)74-31-33-91(55-80-60(96-51-43-70(17,18)89(29)71(19,20)44-51)84-61(81-55)97-52-45-72(21,22)90(30)73(23,24)46-52)34-32-75-54-78-58(94-49-39-66(9,10)87(27)67(11,12)40-49)83-59(79-54)95-50-41-68(13,14)88(28)69(15,16)42-50/h47-52H,31-46H2,1-30H3,(H,74,76,77,82)(H,75,78,79,83)
InChIKeyLWZZEIAWAYMUGI-UHFFFAOYSA-N
MW1355.96 g/mol
LogP11.45
Rot. Bonds21

About N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine (PubChem CID 22068155) has the molecular formula C73H130N18O6 and a molecular weight of 1355.96 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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
PubChem CID22068155
Molecular FormulaC73H130N18O6
Molecular Weight1355.96 g/mol
Exact Mass1355.04
IUPAC NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(NCCN(CCNc3nc(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/C73H130N18O6/c1-62(2)35-47(36-63(3,4)85(62)25)92-56-76-53(77-57(82-56)93-48-37-64(5,6)86(26)65(7,8)38-48)74-31-33-91(55-80-60(96-51-43-70(17,18)89(29)71(19,20)44-51)84-61(81-55)97-52-45-72(21,22)90(30)73(23,24)46-52)34-32-75-54-78-58(94-49-39-66(9,10)87(27)67(11,12)40-49)83-59(79-54)95-50-41-68(13,14)88(28)69(15,16)42-50/h47-52H,31-46H2,1-30H3,(H,74,76,77,82)(H,75,78,79,83)
InChIKeyLWZZEIAWAYMUGI-UHFFFAOYSA-N
XLogP11.45
TPSA218.13 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.96
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

3,3',3'',3'''-(1,4-Piperazine-1,4-diylbis(1,3,5-triazine-6,2,4-triylbis(oxymethylene)))tetrakis(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro(5.5)undecane)
CID 56620332
1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis(N-(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N',N''-bis(3-methoxypropyl)-N',N''-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 102438383
Ethanol, 2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-
CID 56842648
1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentakis(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N''-(3-((4-((3-(dimethylamino)propyl)amino)-6-((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-
CID 131632934
4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 14365123
4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365131
N,N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-amine
CID 14365137
4-N,4-N-bis[3-[[4-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propyl]-2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 19031690
1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine
CID 19832523
1-[4-[[4-[6-[[4-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 19991777
N,N'-bis[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl]hexane-1,6-diamine
CID 19991794
6-N-[8-[[4,6-bis[3-butoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-5-[[[4,6-bis[3-butoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]octyl]-2-N,4-N-bis(3-butoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20272123

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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine (CID 22068155) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine is CN1C(C)(C)CC(Oc2nc(NCCN(CCNc3nc(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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is LWZZEIAWAYMUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H130N18O6/c1-62(2)35-47(36-63(3,4)85(62)25)92-56-76-53(77-57(82-56)93-48-37-64(5,6)86(26)65(7,8)38-48)74-31-33-91(55-80-60(96-51-43-70(17,18)89(29)71(19,20)44-51)84-61(81-55)97-52-45-72(21,22)90(30)73(23,24)46-52)34-32-75-54-78-58(94-49-39-66(9,10)87(27)67(11,12)40-49)83-59(79-54)95-50-41-68(13,14)88(28)69(15,16)42-50/h47-52H,31-46H2,1-30H3,(H,74,76,77,82)(H,75,78,79,83).
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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 1355.96 g/mol, XLogP of 11.45, 21 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'-[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 22068155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).