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

C35H68N8O4 — CID 19090212

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

2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090212) has the molecular formula C35H68N8O4 and a molecular weight of 664.98 g/mol. Its IUPAC name is 2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090212
• Molecular Formula: C35H68N8O4
• Molecular Weight: 664.98 g/mol
• Exact Mass: 664.54
• IUPAC Name: 2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(COC)COC)n1)C1CC(C)(C)N(OC)C(C)(C)C1
• InChI: InChI=1S/C35H68N8O4/c1-15-17-27(25-19-32(3,4)42(46-13)33(5,6)20-25)36-29-38-30(40-31(39-29)41(23-44-11)24-45-12)37-28(18-16-2)26-21-34(7,8)43(47-14)35(9,10)22-26/h25-28H,15-24H2,1-14H3,(H2,36,37,38,39,40)
• InChIKey: JMQSZOKUPZVYLH-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 109.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	664.98
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090212) is 2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(COC)COC)n1)C1CC(C)(C)N(OC)C(C)(C)C1.

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

The InChIKey is JMQSZOKUPZVYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N8O4/c1-15-17-27(25-19-32(3,4)42(46-13)33(5,6)20-25)36-29-38-30(40-31(39-29)41(23-44-11)24-45-12)37-28(18-16-2)26-21-34(7,8)43(47-14)35(9,10)22-26/h25-28H,15-24H2,1-14H3,(H2,36,37,38,39,40).

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

2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 664.98 g/mol, XLogP of 6.71, 17 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(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).