N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine

C34H82N4O9Si4 — CID 171623472

About N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine

N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine (PubChem CID 171623472) has the molecular formula C34H82N4O9Si4 and a molecular weight of 803.39 g/mol. Its IUPAC name is N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
• PubChem CID: 171623472
• Molecular Formula: C34H82N4O9Si4
• Molecular Weight: 803.39 g/mol
• Exact Mass: 802.52
• IUPAC Name: N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
• SMILES: CCCCNCCC[Si](OC)(OC)O[Si](CCCNCCCC)(OC)O[Si](CCCNCCCC)(OC)O[Si](CCCNCCCC)(OC)OC
• InChI: InChI=1S/C34H82N4O9Si4/c1-11-15-23-35-27-19-31-48(39-5,40-6)45-50(43-9,33-21-29-37-25-17-13-3)47-51(44-10,34-22-30-38-26-18-14-4)46-49(41-7,42-8)32-20-28-36-24-16-12-2/h35-38H,11-34H2,1-10H3
• InChIKey: CLEAXLAFQXJZFK-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 131.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 40
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	803.39
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine?

The IUPAC name of N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine (CID 171623472) is N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine.

What is the SMILES notation for N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine?

The canonical SMILES for N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine is CCCCNCCC[Si](OC)(OC)O[Si](CCCNCCCC)(OC)O[Si](CCCNCCCC)(OC)O[Si](CCCNCCCC)(OC)OC.

What is the InChIKey of N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine?

The InChIKey is CLEAXLAFQXJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H82N4O9Si4/c1-11-15-23-35-27-19-31-48(39-5,40-6)45-50(43-9,33-21-29-37-25-17-13-3)47-51(44-10,34-22-30-38-26-18-14-4)46-49(41-7,42-8)32-20-28-36-24-16-12-2/h35-38H,11-34H2,1-10H3.

What are the key properties of N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine?

N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine has a molecular weight of 803.39 g/mol, XLogP of 5.79, 40 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine is sourced from PubChem (CID 171623472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).