6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C124H234N32 — CID 19367384

About 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19367384) has the molecular formula C124H234N32 and a molecular weight of 2173.46 g/mol. Its IUPAC name is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19367384
• Molecular Formula: C124H234N32
• Molecular Weight: 2173.46 g/mol
• Exact Mass: 2171.93
• IUPAC Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(C(N)(c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)C(CNCCNCCCN)(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
• InChI: InChI=1S/C124H234N32/c1-107(2)70-87(71-108(3,4)149-107)50-33-41-60-129-99-137-95(138-100(145-99)130-61-42-34-51-88-72-109(5,6)150-110(7,8)73-88)123(86-128-69-68-127-59-49-58-125,96-139-101(131-62-43-35-52-89-74-111(9,10)151-112(11,12)75-89)146-102(140-96)132-63-44-36-53-90-76-113(13,14)152-114(15,16)77-90)124(126,97-141-103(133-64-45-37-54-91-78-115(17,18)153-116(19,20)79-91)147-104(142-97)134-65-46-38-55-92-80-117(21,22)154-118(23,24)81-92)98-143-105(135-66-47-39-56-93-82-119(25,26)155-120(27,28)83-93)148-106(144-98)136-67-48-40-57-94-84-121(29,30)156-122(31,32)85-94/h87-94,127-128,149-156H,33-86,125-126H2,1-32H3,(H2,129,130,137,138,145)(H2,131,132,139,140,146)(H2,133,134,141,142,147)(H2,135,136,143,144,148)
• InChIKey: RZIQXDCOUNLKRF-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 423.26 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 32
• Rotatable Bonds: 61
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.46
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	20
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-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19367384) is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(C(N)(c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)C(CNCCNCCCN)(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 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is RZIQXDCOUNLKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H234N32/c1-107(2)70-87(71-108(3,4)149-107)50-33-41-60-129-99-137-95(138-100(145-99)130-61-42-34-51-88-72-109(5,6)150-110(7,8)73-88)123(86-128-69-68-127-59-49-58-125,96-139-101(131-62-43-35-52-89-74-111(9,10)151-112(11,12)75-89)146-102(140-96)132-63-44-36-53-90-76-113(13,14)152-114(15,16)77-90)124(126,97-141-103(133-64-45-37-54-91-78-115(17,18)153-116(19,20)79-91)147-104(142-97)134-65-46-38-55-92-80-117(21,22)154-118(23,24)81-92)98-143-105(135-66-47-39-56-93-82-119(25,26)155-120(27,28)83-93)148-106(144-98)136-67-48-40-57-94-84-121(29,30)156-122(31,32)85-94/h87-94,127-128,149-156H,33-86,125-126H2,1-32H3,(H2,129,130,137,138,145)(H2,131,132,139,140,146)(H2,133,134,141,142,147)(H2,135,136,143,144,148).

What are the key properties of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2173.46 g/mol, XLogP of 22.26, 61 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19367384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).