2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

C34H63N7O4 — CID 19090209

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

2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 19090209) has the molecular formula C34H63N7O4 and a molecular weight of 633.92 g/mol. Its IUPAC name is 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
• PubChem CID: 19090209
• Molecular Formula: C34H63N7O4
• Molecular Weight: 633.92 g/mol
• Exact Mass: 633.49
• IUPAC Name: 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
• SMILES: CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(OCC2CO2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
• InChI: InChI=1S/C34H63N7O4/c1-13-15-26(23-17-31(3,4)40(42-11)32(5,6)18-23)35-28-37-29(39-30(38-28)45-22-25-21-44-25)36-27(16-14-2)24-19-33(7,8)41(43-12)34(9,10)20-24/h23-27H,13-22H2,1-12H3,(H2,35,36,37,38,39)
• InChIKey: FZMAKXFOKNDGCM-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 109.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	633.92
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 19090209) is 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(OCC2CO2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.

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

The InChIKey is FZMAKXFOKNDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63N7O4/c1-13-15-26(23-17-31(3,4)40(42-11)32(5,6)18-23)35-28-37-29(39-30(38-28)45-22-25-21-44-25)36-27(16-14-2)24-19-33(7,8)41(43-12)34(9,10)20-24/h23-27H,13-22H2,1-12H3,(H2,35,36,37,38,39).

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

2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 633.92 g/mol, XLogP of 6.47, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-(oxiran-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).