4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine

C26H59N3O2Si — CID 140647325

About 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine

4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine (PubChem CID 140647325) has the molecular formula C26H59N3O2Si and a molecular weight of 473.86 g/mol. Its IUPAC name is 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine.

Molecular Properties

• Compound Name: 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
• PubChem CID: 140647325
• Molecular Formula: C26H59N3O2Si
• Molecular Weight: 473.86 g/mol
• Exact Mass: 473.44
• IUPAC Name: 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
• SMILES: CCO[Si](CC)(CC(CCCN(C)CC)(CCCN(C)CC)CCCN(C)CC)OCC
• InChI: InChI=1S/C26H59N3O2Si/c1-10-27(7)22-16-19-26(20-17-23-28(8)11-2,21-18-24-29(9)12-3)25-32(15-6,30-13-4)31-14-5/h10-25H2,1-9H3
• InChIKey: OLSKTYYDURLNDV-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 28.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 22
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.86
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?

The IUPAC name of 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine (CID 140647325) is 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine.

What is the SMILES notation for 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?

The canonical SMILES for 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine is CCO[Si](CC)(CC(CCCN(C)CC)(CCCN(C)CC)CCCN(C)CC)OCC.

What is the InChIKey of 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?

The InChIKey is OLSKTYYDURLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59N3O2Si/c1-10-27(7)22-16-19-26(20-17-23-28(8)11-2,21-18-24-29(9)12-3)25-32(15-6,30-13-4)31-14-5/h10-25H2,1-9H3.

What are the key properties of 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?

4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine has a molecular weight of 473.86 g/mol, XLogP of 5.70, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine is sourced from PubChem (CID 140647325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).