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

C132H250N32 — CID 18358480

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

6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 18358480) has the molecular formula C132H250N32 and a molecular weight of 2285.68 g/mol. Its IUPAC name is 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 18358480
• Molecular Formula: C132H250N32
• Molecular Weight: 2285.68 g/mol
• Exact Mass: 2284.05
• IUPAC Name: 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCC(Nc1nc(NCCCN(CCN(CCCNc2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)nc(NC(CCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
• InChI: InChI=1S/C132H250N32/c1-49-59-97(89-73-117(9,10)155(41)118(11,12)74-89)135-107-143-105(144-108(147-107)136-98(60-50-2)90-75-119(13,14)156(42)120(15,16)76-90)133-67-57-69-163(115-151-111(139-101(63-53-5)93-81-125(25,26)159(45)126(27,28)82-93)149-112(152-115)140-102(64-54-6)94-83-127(29,30)160(46)128(31,32)84-94)71-72-164(116-153-113(141-103(65-55-7)95-85-129(33,34)161(47)130(35,36)86-95)150-114(154-116)142-104(66-56-8)96-87-131(37,38)162(48)132(39,40)88-96)70-58-68-134-106-145-109(137-99(61-51-3)91-77-121(17,18)157(43)122(19,20)78-91)148-110(146-106)138-100(62-52-4)92-79-123(21,22)158(44)124(23,24)80-92/h89-104H,49-88H2,1-48H3,(H2,139,140,149,151,152)(H2,141,142,150,153,154)(H3,133,135,136,143,144,147)(H3,134,137,138,145,146,148)
• InChIKey: PITSMRSEECVHKO-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 307.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 55
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.68
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 18358480) is 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(NCCCN(CCN(CCCNc2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)c2nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(NC(CCC)C3CC(C)(C)N(C)C(C)(C)C3)n2)nc(NC(CCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.

What is the InChIKey of 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is PITSMRSEECVHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H250N32/c1-49-59-97(89-73-117(9,10)155(41)118(11,12)74-89)135-107-143-105(144-108(147-107)136-98(60-50-2)90-75-119(13,14)156(42)120(15,16)76-90)133-67-57-69-163(115-151-111(139-101(63-53-5)93-81-125(25,26)159(45)126(27,28)82-93)149-112(152-115)140-102(64-54-6)94-83-127(29,30)160(46)128(31,32)84-94)71-72-164(116-153-113(141-103(65-55-7)95-85-129(33,34)161(47)130(35,36)86-95)150-114(154-116)142-104(66-56-8)96-87-131(37,38)162(48)132(39,40)88-96)70-58-68-134-106-145-109(137-99(61-51-3)91-77-121(17,18)157(43)122(19,20)78-91)148-110(146-106)138-100(62-52-4)92-79-123(21,22)158(44)124(23,24)80-92/h89-104H,49-88H2,1-48H3,(H2,139,140,149,151,152)(H2,141,142,150,153,154)(H3,133,135,136,143,144,147)(H3,134,137,138,145,146,148).

What are the key properties of 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?

6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2285.68 g/mol, XLogP of 27.58, 55 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18358480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).