6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C101H193N25 — CID 141228812

IUPAC6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCCNCCN(CCCNc2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)c2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)nc(N(CCCC)C2(C)C(C)(C)CNCC2(C)C)n1)C1(C)C(C)(C)CNCC1(C)C
InChIInChI=1S/C101H193N25/c1-37-43-56-121(96(31)84(7,8)63-103-64-85(96,9)10)78-111-75(112-79(117-78)122(57-44-38-2)97(32)86(11,12)65-104-66-87(97,13)14)109-52-49-51-102-54-62-120(77-115-82(125(60-47-41-5)100(35)92(23,24)71-107-72-93(100,25)26)119-83(116-77)126(61-48-42-6)101(36)94(27,28)73-108-74-95(101,29)30)55-50-53-110-76-113-80(123(58-45-39-3)98(33)88(15,16)67-105-68-89(98,17)18)118-81(114-76)124(59-46-40-4)99(34)90(19,20)69-106-70-91(99,21)22/h102-108H,37-74H2,1-36H3,(H,109,111,112,117)(H,110,113,114,118)
InChIKeyXGGPXKJZKDQYKI-UHFFFAOYSA-N
MW1757.83 g/mol
LogP17.77
Rot. Bonds44

About 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 141228812) has the molecular formula C101H193N25 and a molecular weight of 1757.83 g/mol. Its IUPAC name is 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID141228812
Molecular FormulaC101H193N25
Molecular Weight1757.83 g/mol
Exact Mass1756.59
IUPAC Name6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCCNCCN(CCCNc2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)c2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)nc(N(CCCC)C2(C)C(C)(C)CNCC2(C)C)n1)C1(C)C(C)(C)CNCC1(C)C
InChIInChI=1S/C101H193N25/c1-37-43-56-121(96(31)84(7,8)63-103-64-85(96,9)10)78-111-75(112-79(117-78)122(57-44-38-2)97(32)86(11,12)65-104-66-87(97,13)14)109-52-49-51-102-54-62-120(77-115-82(125(60-47-41-5)100(35)92(23,24)71-107-72-93(100,25)26)119-83(116-77)126(61-48-42-6)101(36)94(27,28)73-108-74-95(101,29)30)55-50-53-110-76-113-80(123(58-45-39-3)98(33)88(15,16)67-105-68-89(98,17)18)118-81(114-76)124(59-46-40-4)99(34)90(19,20)69-106-70-91(99,21)22/h102-108H,37-74H2,1-36H3,(H,109,111,112,117)(H,110,113,114,118)
InChIKeyXGGPXKJZKDQYKI-UHFFFAOYSA-N
XLogP17.77
TPSA246.96 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001757.83
LogP ≤ 517.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 141228812) is 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NCCCNCCN(CCCNc2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)c2nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)nc(N(CCCC)C3(C)C(C)(C)CNCC3(C)C)n2)nc(N(CCCC)C2(C)C(C)(C)CNCC2(C)C)n1)C1(C)C(C)(C)CNCC1(C)C.
What is the InChIKey of 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XGGPXKJZKDQYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H193N25/c1-37-43-56-121(96(31)84(7,8)63-103-64-85(96,9)10)78-111-75(112-79(117-78)122(57-44-38-2)97(32)86(11,12)65-104-66-87(97,13)14)109-52-49-51-102-54-62-120(77-115-82(125(60-47-41-5)100(35)92(23,24)71-107-72-93(100,25)26)119-83(116-77)126(61-48-42-6)101(36)94(27,28)73-108-74-95(101,29)30)55-50-53-110-76-113-80(123(58-45-39-3)98(33)88(15,16)67-105-68-89(98,17)18)118-81(114-76)124(59-46-40-4)99(34)90(19,20)69-106-70-91(99,21)22/h102-108H,37-74H2,1-36H3,(H,109,111,112,117)(H,110,113,114,118).
What are the key properties of 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1757.83 g/mol, XLogP of 17.77, 44 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[2-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(3,3,4,5,5-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(3,3,4,5,5-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 141228812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).