2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde

C19H40N2O8 — CID 167072159

About 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde (PubChem CID 167072159) has the molecular formula C19H40N2O8 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde.

Molecular Properties

• Compound Name: 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde
• PubChem CID: 167072159
• Molecular Formula: C19H40N2O8
• Molecular Weight: 424.54 g/mol
• Exact Mass: 424.28
• IUPAC Name: 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde
• SMILES: CC(COCC=O)(COCCOCCOCCN)COCCOCCOCCN
• InChI: InChI=1S/C19H40N2O8/c1-19(16-27-7-4-22,17-28-14-12-25-10-8-23-5-2-20)18-29-15-13-26-11-9-24-6-3-21/h4H,2-3,5-18,20-21H2,1H3
• InChIKey: BCMSKJRQGCURAR-UHFFFAOYSA-N
• XLogP: -0.77
• TPSA: 133.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.54
LogP ≤ 5	-0.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde?

The IUPAC name of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde (CID 167072159) is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde.

What is the SMILES notation for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde?

The canonical SMILES for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde is CC(COCC=O)(COCCOCCOCCN)COCCOCCOCCN.

What is the InChIKey of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde?

The InChIKey is BCMSKJRQGCURAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O8/c1-19(16-27-7-4-22,17-28-14-12-25-10-8-23-5-2-20)18-29-15-13-26-11-9-24-6-3-21/h4H,2-3,5-18,20-21H2,1H3.

What are the key properties of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde?

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde has a molecular weight of 424.54 g/mol, XLogP of -0.77, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetaldehyde is sourced from PubChem (CID 167072159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).