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

C108H192N26O8 — CID 22068157

IUPACN,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-diamine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)CCN(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/C108H192N26O8/c1-89(2)47-67(48-90(3,4)121-89)133(79-113-85(139-73-59-101(25,26)127-102(27,28)60-73)119-86(114-79)140-74-61-103(29,30)128-104(31,32)62-74)45-43-131(77-109-81(135-69-51-93(9,10)123-94(11,12)52-69)117-82(110-77)136-70-53-95(13,14)124-96(15,16)54-70)41-42-132(78-111-83(137-71-55-97(17,18)125-98(19,20)56-71)118-84(112-78)138-72-57-99(21,22)126-100(23,24)58-72)44-46-134(68-49-91(5,6)122-92(7,8)50-68)80-115-87(141-75-63-105(33,34)129-106(35,36)64-75)120-88(116-80)142-76-65-107(37,38)130-108(39,40)66-76/h67-76,121-130H,41-66H2,1-40H3
InChIKeyBFKYXNWDVOCVPU-UHFFFAOYSA-N
MW1982.90 g/mol
LogP15.88
Rot. Bonds31

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

N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-diamine (PubChem CID 22068157) has the molecular formula C108H192N26O8 and a molecular weight of 1982.90 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,N'-bis[2-[[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]ethyl]ethane-1,2-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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine
PubChem CID22068157
Molecular FormulaC108H192N26O8
Molecular Weight1982.90 g/mol
Exact Mass1981.54
IUPAC NameN,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-diamine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)CCN(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/C108H192N26O8/c1-89(2)47-67(48-90(3,4)121-89)133(79-113-85(139-73-59-101(25,26)127-102(27,28)60-73)119-86(114-79)140-74-61-103(29,30)128-104(31,32)62-74)45-43-131(77-109-81(135-69-51-93(9,10)123-94(11,12)52-69)117-82(110-77)136-70-53-95(13,14)124-96(15,16)54-70)41-42-132(78-111-83(137-71-55-97(17,18)125-98(19,20)56-71)118-84(112-78)138-72-57-99(21,22)126-100(23,24)58-72)44-46-134(68-49-91(5,6)122-92(7,8)50-68)80-115-87(141-75-63-105(33,34)129-106(35,36)64-75)120-88(116-80)142-76-65-107(37,38)130-108(39,40)66-76/h67-76,121-130H,41-66H2,1-40H3
InChIKeyBFKYXNWDVOCVPU-UHFFFAOYSA-N
XLogP15.88
TPSA361.78 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001982.90
LogP ≤ 515.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]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[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine (CID 22068157) is N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-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,N'-bis[2-[[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]ethyl]ethane-1,2-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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine is CC1(C)CC(Oc2nc(OC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)NC(C)(C)C4)nc(OC4CC(C)(C)NC(C)(C)C4)n3)CCN(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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine?
The InChIKey is BFKYXNWDVOCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H192N26O8/c1-89(2)47-67(48-90(3,4)121-89)133(79-113-85(139-73-59-101(25,26)127-102(27,28)60-73)119-86(114-79)140-74-61-103(29,30)128-104(31,32)62-74)45-43-131(77-109-81(135-69-51-93(9,10)123-94(11,12)52-69)117-82(110-77)136-70-53-95(13,14)124-96(15,16)54-70)41-42-132(78-111-83(137-71-55-97(17,18)125-98(19,20)56-71)118-84(112-78)138-72-57-99(21,22)126-100(23,24)58-72)44-46-134(68-49-91(5,6)122-92(7,8)50-68)80-115-87(141-75-63-105(33,34)129-106(35,36)64-75)120-88(116-80)142-76-65-107(37,38)130-108(39,40)66-76/h67-76,121-130H,41-66H2,1-40H3.
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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine?
N,N'-bis[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[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]ethyl]ethane-1,2-diamine has a molecular weight of 1982.90 g/mol, XLogP of 15.88, 31 rotatable bonds, 10 hydrogen bond donors, and 34 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,N'-bis[2-[[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]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 22068157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).