2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

C124H234N32 — CID 18358594

IUPAC2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(NCCCN(CCN(CCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
InChIInChI=1S/C124H234N32/c1-109(2)73-89(74-110(3,4)147-109)51-33-41-59-125-97-135-98(126-60-42-34-52-90-75-111(5,6)148-112(7,8)76-90)138-101(137-97)133-67-49-69-155(107-143-103(129-63-45-37-55-93-81-117(17,18)151-118(19,20)82-93)141-104(144-107)130-64-46-38-56-94-83-119(21,22)152-120(23,24)84-94)71-72-156(108-145-105(131-65-47-39-57-95-85-121(25,26)153-122(27,28)86-95)142-106(146-108)132-66-48-40-58-96-87-123(29,30)154-124(31,32)88-96)70-50-68-134-102-139-99(127-61-43-35-53-91-77-113(9,10)149-114(11,12)78-91)136-100(140-102)128-62-44-36-54-92-79-115(13,14)150-116(15,16)80-92/h89-96,147-154H,33-88H2,1-32H3,(H2,129,130,141,143,144)(H2,131,132,142,145,146)(H3,125,126,133,135,137,138)(H3,127,128,134,136,139,140)
InChIKeyBCTOYTDEIJRERU-UHFFFAOYSA-N
MW2173.46 g/mol
LogP24.86
Rot. Bonds63

About 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 18358594) has the molecular formula C124H234N32 and a molecular weight of 2173.46 g/mol. Its IUPAC name is 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID18358594
Molecular FormulaC124H234N32
Molecular Weight2173.46 g/mol
Exact Mass2171.93
IUPAC Name2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(NCCCN(CCN(CCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
InChIInChI=1S/C124H234N32/c1-109(2)73-89(74-110(3,4)147-109)51-33-41-59-125-97-135-98(126-60-42-34-52-90-75-111(5,6)148-112(7,8)76-90)138-101(137-97)133-67-49-69-155(107-143-103(129-63-45-37-55-93-81-117(17,18)151-118(19,20)82-93)141-104(144-107)130-64-46-38-56-94-83-119(21,22)152-120(23,24)84-94)71-72-156(108-145-105(131-65-47-39-57-95-85-121(25,26)153-122(27,28)86-95)142-106(146-108)132-66-48-40-58-96-87-123(29,30)154-124(31,32)88-96)70-50-68-134-102-139-99(127-61-43-35-53-91-77-113(9,10)149-114(11,12)78-91)136-100(140-102)128-62-44-36-54-92-79-115(13,14)150-116(15,16)80-92/h89-96,147-154H,33-88H2,1-32H3,(H2,129,130,141,143,144)(H2,131,132,142,145,146)(H3,125,126,133,135,137,138)(H3,127,128,134,136,139,140)
InChIKeyBCTOYTDEIJRERU-UHFFFAOYSA-N
XLogP24.86
TPSA377.70 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds63
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002173.46
LogP ≤ 524.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 18358594) is 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(NCCCN(CCN(CCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1.
What is the InChIKey of 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BCTOYTDEIJRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H234N32/c1-109(2)73-89(74-110(3,4)147-109)51-33-41-59-125-97-135-98(126-60-42-34-52-90-75-111(5,6)148-112(7,8)76-90)138-101(137-97)133-67-49-69-155(107-143-103(129-63-45-37-55-93-81-117(17,18)151-118(19,20)82-93)141-104(144-107)130-64-46-38-56-94-83-119(21,22)152-120(23,24)84-94)71-72-156(108-145-105(131-65-47-39-57-95-85-121(25,26)153-122(27,28)86-95)142-106(146-108)132-66-48-40-58-96-87-123(29,30)154-124(31,32)88-96)70-50-68-134-102-139-99(127-61-43-35-53-91-77-113(9,10)149-114(11,12)78-91)136-100(140-102)128-62-44-36-54-92-79-115(13,14)150-116(15,16)80-92/h89-96,147-154H,33-88H2,1-32H3,(H2,129,130,141,143,144)(H2,131,132,142,145,146)(H3,125,126,133,135,137,138)(H3,127,128,134,136,139,140).
What are the key properties of 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2173.46 g/mol, XLogP of 24.86, 63 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18358594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).