4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C23H38N6O2 — CID 23787226

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23787226) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 23787226
• Molecular Formula: C23H38N6O2
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.31
• IUPAC Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)CNc1nc(NCCOCCOCCN)nc(-c2ccc(C(C)(C)C)cc2)n1
• InChI: InChI=1S/C23H38N6O2/c1-17(2)16-26-22-28-20(18-6-8-19(9-7-18)23(3,4)5)27-21(29-22)25-11-13-31-15-14-30-12-10-24/h6-9,17H,10-16,24H2,1-5H3,(H2,25,26,27,28,29)
• InChIKey: ADFSFYBJKUJTAB-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 107.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 23787226) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)CNc1nc(NCCOCCOCCN)nc(-c2ccc(C(C)(C)C)cc2)n1.

What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is ADFSFYBJKUJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-17(2)16-26-22-28-20(18-6-8-19(9-7-18)23(3,4)5)27-21(29-22)25-11-13-31-15-14-30-12-10-24/h6-9,17H,10-16,24H2,1-5H3,(H2,25,26,27,28,29).

What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 430.60 g/mol, XLogP of 3.31, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-tert-butylphenyl)-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23787226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).