2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

C56H98N12O6 — CID 19090205

About 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 19090205) has the molecular formula C56H98N12O6 and a molecular weight of 1035.48 g/mol. Its IUPAC name is 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
• PubChem CID: 19090205
• Molecular Formula: C56H98N12O6
• Molecular Weight: 1035.48 g/mol
• Exact Mass: 1034.77
• IUPAC Name: 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
• SMILES: CCCC(Nc1nc(NCCCCCCNc2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(OCC3CO3)n2)nc(OCC2CO2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C56H98N12O6/c1-11-23-45(39-31-53(3,4)67(54(5,6)32-39)73-41-25-17-15-18-26-41)59-49-61-47(63-51(65-49)71-37-43-35-69-43)57-29-21-13-14-22-30-58-48-62-50(66-52(64-48)72-38-44-36-70-44)60-46(24-12-2)40-33-55(7,8)68(56(9,10)34-40)74-42-27-19-16-20-28-42/h39-46H,11-38H2,1-10H3,(H2,57,59,61,63,65)(H2,58,60,62,64,66)
• InChIKey: LNYPGUNXXLRZFD-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 193.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1035.48
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 19090205) is 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CCCC(Nc1nc(NCCCCCCNc2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(OCC3CO3)n2)nc(OCC2CO2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

What is the InChIKey of 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

The InChIKey is LNYPGUNXXLRZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H98N12O6/c1-11-23-45(39-31-53(3,4)67(54(5,6)32-39)73-41-25-17-15-18-26-41)59-49-61-47(63-51(65-49)71-37-43-35-69-43)57-29-21-13-14-22-30-58-48-62-50(66-52(64-48)72-38-44-36-70-44)60-46(24-12-2)40-33-55(7,8)68(56(9,10)34-40)74-42-27-19-16-20-28-42/h39-46H,11-38H2,1-10H3,(H2,57,59,61,63,65)(H2,58,60,62,64,66).

What are the key properties of 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 1035.48 g/mol, XLogP of 10.92, 29 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(oxiran-2-ylmethoxy)-1,3,5-triazin-2-yl]amino]hexyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).