4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C96H178N16O4 — CID 18338384

About 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18338384) has the molecular formula C96H178N16O4 and a molecular weight of 1620.59 g/mol. Its IUPAC name is 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 18338384
• Molecular Formula: C96H178N16O4
• Molecular Weight: 1620.59 g/mol
• Exact Mass: 1619.42
• IUPAC Name: 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCCCCN(c2nc(N(CCCC)CCCC)nc(N(CCCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
• InChI: InChI=1S/C96H178N16O4/c1-23-29-59-103(60-30-24-2)83-97-85(105(63-33-27-5)75-67-89(7,8)109(90(9,10)68-75)113-79-51-41-37-42-52-79)101-87(99-83)107(77-71-93(15,16)111(94(17,18)72-77)115-81-55-45-39-46-56-81)65-49-35-36-50-66-108(78-73-95(19,20)112(96(21,22)74-78)116-82-57-47-40-48-58-82)88-100-84(104(61-31-25-3)62-32-26-4)98-86(102-88)106(64-34-28-6)76-69-91(11,12)110(92(13,14)70-76)114-80-53-43-38-44-54-80/h75-82H,23-74H2,1-22H3
• InChIKey: MIGNAOKGJJEZCD-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 146.66 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 43
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.59
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 18338384) is 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCCCCN(c2nc(N(CCCC)CCCC)nc(N(CCCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1.

What is the InChIKey of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is MIGNAOKGJJEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H178N16O4/c1-23-29-59-103(60-30-24-2)83-97-85(105(63-33-27-5)75-67-89(7,8)109(90(9,10)68-75)113-79-51-41-37-42-52-79)101-87(99-83)107(77-71-93(15,16)111(94(17,18)72-77)115-81-55-45-39-46-56-81)65-49-35-36-50-66-108(78-73-95(19,20)112(96(21,22)74-78)116-82-57-47-40-48-58-82)88-100-84(104(61-31-25-3)62-32-26-4)98-86(102-88)106(64-34-28-6)76-69-91(11,12)110(92(13,14)70-76)114-80-53-43-38-44-54-80/h75-82H,23-74H2,1-22H3.

What are the key properties of 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1620.59 g/mol, XLogP of 23.10, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N,6-N-tributyl-2-N-[6-[[4-[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18338384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).