N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine

C124H242N40 — CID 139787185

IUPACN,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
SMILESCCCCN(NC1CC(C)(C)NC(C)(C)C1)c1nc(NCCCN(CCN(CCCNc2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C124H242N40/c1-41-49-63-157(139-89-73-109(9,10)147-110(11,12)74-89)101-127-97(128-102(135-101)158(64-50-42-2)140-90-75-111(13,14)148-112(15,16)76-90)125-59-57-61-155(99-131-105(161(67-53-45-5)143-93-81-117(25,26)151-118(27,28)82-93)137-106(132-99)162(68-54-46-6)144-94-83-119(29,30)152-120(31,32)84-94)71-72-156(100-133-107(163(69-55-47-7)145-95-85-121(33,34)153-122(35,36)86-95)138-108(134-100)164(70-56-48-8)146-96-87-123(37,38)154-124(39,40)88-96)62-58-60-126-98-129-103(159(65-51-43-3)141-91-77-113(17,18)149-114(19,20)78-91)136-104(130-98)160(66-52-44-4)142-92-79-115(21,22)150-116(23,24)80-92/h89-96,139-154H,41-88H2,1-40H3,(H,125,127,128,135)(H,126,129,130,136)
InChIKeyDJBKLZJMQJWMRT-UHFFFAOYSA-N
MW2293.58 g/mol
LogP19.11
Rot. Bonds63

About N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine

N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine (PubChem CID 139787185) has the molecular formula C124H242N40 and a molecular weight of 2293.58 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
PubChem CID139787185
Molecular FormulaC124H242N40
Molecular Weight2293.58 g/mol
Exact Mass2292.02
IUPAC NameN,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine
SMILESCCCCN(NC1CC(C)(C)NC(C)(C)C1)c1nc(NCCCN(CCN(CCCNc2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C124H242N40/c1-41-49-63-157(139-89-73-109(9,10)147-110(11,12)74-89)101-127-97(128-102(135-101)158(64-50-42-2)140-90-75-111(13,14)148-112(15,16)76-90)125-59-57-61-155(99-131-105(161(67-53-45-5)143-93-81-117(25,26)151-118(27,28)82-93)137-106(132-99)162(68-54-46-6)144-94-83-119(29,30)152-120(31,32)84-94)71-72-156(100-133-107(163(69-55-47-7)145-95-85-121(33,34)153-122(35,36)86-95)138-108(134-100)164(70-56-48-8)146-96-87-123(37,38)154-124(39,40)88-96)62-58-60-126-98-129-103(159(65-51-43-3)141-91-77-113(17,18)149-114(19,20)78-91)136-104(130-98)160(66-52-44-4)142-92-79-115(21,22)150-116(23,24)80-92/h89-96,139-154H,41-88H2,1-40H3,(H,125,127,128,135)(H,126,129,130,136)
InChIKeyDJBKLZJMQJWMRT-UHFFFAOYSA-N
XLogP19.11
TPSA403.62 Ų
H-Bond Donors18
H-Bond Acceptors40
Rotatable Bonds63
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.58
LogP ≤ 519.11
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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

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Related Compounds

6-N-[3-[6-[bis[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]hexyl-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 59806376
6-N-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl]-2-N,4-N-dibutyl-4-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 91132357
6-N-[3-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl-octadecylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 59247798
2-N,2-N-dipropyl-4-N,6-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 54147043
2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 57125933
6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
CID 159254799
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
2-N,4-N-dibutyl-6-N-[(dodecylamino)methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane
CID 157287133
6-N-[3-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-methoxypropyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis(1-methoxypropyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 87672371
2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 67122999
2,2-bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]hexanedioate
CID 18993536
2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;methane
CID 159566923

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine (CID 139787185) is N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine is CCCCN(NC1CC(C)(C)NC(C)(C)C1)c1nc(NCCCN(CCN(CCCNc2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)NC3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)NC2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
The InChIKey is DJBKLZJMQJWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H242N40/c1-41-49-63-157(139-89-73-109(9,10)147-110(11,12)74-89)101-127-97(128-102(135-101)158(64-50-42-2)140-90-75-111(13,14)148-112(15,16)76-90)125-59-57-61-155(99-131-105(161(67-53-45-5)143-93-81-117(25,26)151-118(27,28)82-93)137-106(132-99)162(68-54-46-6)144-94-83-119(29,30)152-120(31,32)84-94)71-72-156(100-133-107(163(69-55-47-7)145-95-85-121(33,34)153-122(35,36)86-95)138-108(134-100)164(70-56-48-8)146-96-87-123(37,38)154-124(39,40)88-96)62-58-60-126-98-129-103(159(65-51-43-3)141-91-77-113(17,18)149-114(19,20)78-91)136-104(130-98)160(66-52-44-4)142-92-79-115(21,22)150-116(23,24)80-92/h89-96,139-154H,41-88H2,1-40H3,(H,125,127,128,135)(H,126,129,130,136).
What are the key properties of N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine?
N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 2293.58 g/mol, XLogP of 19.11, 63 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-N'-[2-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 139787185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).