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

C124H234N32O8 — CID 19367388

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

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19367388) has the molecular formula C124H234N32O8 and a molecular weight of 2301.45 g/mol. Its IUPAC name is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19367388
• Molecular Formula: C124H234N32O8
• Molecular Weight: 2301.45 g/mol
• Exact Mass: 2299.89
• IUPAC Name: 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine
• SMILES: COC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(C(N)(c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)C(CNCCNCCCN)(c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C124H234N32O8/c1-107(2)62-79(63-108(3,4)149-107)87(157-33)42-52-129-99-137-95(138-100(145-99)130-53-43-88(158-34)80-64-109(5,6)150-110(7,8)65-80)123(78-128-61-60-127-51-41-50-125,96-139-101(131-54-44-89(159-35)81-66-111(9,10)151-112(11,12)67-81)146-102(140-96)132-55-45-90(160-36)82-68-113(13,14)152-114(15,16)69-82)124(126,97-141-103(133-56-46-91(161-37)83-70-115(17,18)153-116(19,20)71-83)147-104(142-97)134-57-47-92(162-38)84-72-117(21,22)154-118(23,24)73-84)98-143-105(135-58-48-93(163-39)85-74-119(25,26)155-120(27,28)75-85)148-106(144-98)136-59-49-94(164-40)86-76-121(29,30)156-122(31,32)77-86/h79-94,127-128,149-156H,41-78,125-126H2,1-40H3,(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: MJQWNSKUCZLJTK-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 497.10 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 40
• Rotatable Bonds: 61
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.45
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	40

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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine (CID 19367388) is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine is COC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(C(N)(c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)C(CNCCNCCCN)(c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is MJQWNSKUCZLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H234N32O8/c1-107(2)62-79(63-108(3,4)149-107)87(157-33)42-52-129-99-137-95(138-100(145-99)130-53-43-88(158-34)80-64-109(5,6)150-110(7,8)65-80)123(78-128-61-60-127-51-41-50-125,96-139-101(131-54-44-89(159-35)81-66-111(9,10)151-112(11,12)67-81)146-102(140-96)132-55-45-90(160-36)82-68-113(13,14)152-114(15,16)69-82)124(126,97-141-103(133-56-46-91(161-37)83-70-115(17,18)153-116(19,20)71-83)147-104(142-97)134-57-47-92(162-38)84-72-117(21,22)154-118(23,24)73-84)98-143-105(135-58-48-93(163-39)85-74-119(25,26)155-120(27,28)75-85)148-106(144-98)136-59-49-94(164-40)86-76-121(29,30)156-122(31,32)77-86/h79-94,127-128,149-156H,41-78,125-126H2,1-40H3,(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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine?

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]-1,1,2-tris[4,6-bis[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2301.45 g/mol, XLogP of 16.13, 61 rotatable bonds, 20 hydrogen bond donors, and 40 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[[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]amino]-1,3,5-triazin-2-yl]propan-2-yl]-2-N,4-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19367388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).