2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

C51H96N8O4 — CID 19090225

About 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090225) has the molecular formula C51H96N8O4 and a molecular weight of 885.38 g/mol. Its IUPAC name is 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090225
• Molecular Formula: C51H96N8O4
• Molecular Weight: 885.38 g/mol
• Exact Mass: 884.76
• IUPAC Name: 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCOCN(COCCCC)c1nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
• InChI: InChI=1S/C51H96N8O4/c1-13-17-31-60-37-57(38-61-32-18-14-2)47-55-45(52-43(25-15-3)39-33-48(5,6)58(49(7,8)34-39)62-41-27-21-19-22-28-41)54-46(56-47)53-44(26-16-4)40-35-50(9,10)59(51(11,12)36-40)63-42-29-23-20-24-30-42/h39-44H,13-38H2,1-12H3,(H2,52,53,54,55,56)
• InChIKey: IALDZTOMCYBYBN-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 109.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	885.38
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090225) is 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

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

The canonical SMILES for 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCCOCN(COCCCC)c1nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1.

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

The InChIKey is IALDZTOMCYBYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H96N8O4/c1-13-17-31-60-37-57(38-61-32-18-14-2)47-55-45(52-43(25-15-3)39-33-48(5,6)58(49(7,8)34-39)62-41-27-21-19-22-28-41)54-46(56-47)53-44(26-16-4)40-35-50(9,10)59(51(11,12)36-40)63-42-29-23-20-24-30-42/h39-44H,13-38H2,1-12H3,(H2,52,53,54,55,56).

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

2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 885.38 g/mol, XLogP of 12.45, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N-bis(butoxymethyl)-4-N,6-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).