3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine

C18H52N2O5Si6 — CID 18354066

About 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine

3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine (PubChem CID 18354066) has the molecular formula C18H52N2O5Si6 and a molecular weight of 545.14 g/mol. Its IUPAC name is 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine.

Molecular Properties

• Compound Name: 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
• PubChem CID: 18354066
• Molecular Formula: C18H52N2O5Si6
• Molecular Weight: 545.14 g/mol
• Exact Mass: 544.25
• IUPAC Name: 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
• SMILES: C[Si](C)(CCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN
• InChI: InChI=1S/C18H52N2O5Si6/c1-26(2,17-13-15-19)21-28(5,6)23-30(9,10)25-31(11,12)24-29(7,8)22-27(3,4)18-14-16-20/h13-20H2,1-12H3
• InChIKey: BHDGJUQHKLJUKQ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 98.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.14
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?

The IUPAC name of 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine (CID 18354066) is 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine.

What is the SMILES notation for 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?

The canonical SMILES for 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine is C[Si](C)(CCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN.

What is the InChIKey of 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?

The InChIKey is BHDGJUQHKLJUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H52N2O5Si6/c1-26(2,17-13-15-19)21-28(5,6)23-30(9,10)25-31(11,12)24-29(7,8)22-27(3,4)18-14-16-20/h13-20H2,1-12H3.

What are the key properties of 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine?

3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine has a molecular weight of 545.14 g/mol, XLogP of 4.98, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine is sourced from PubChem (CID 18354066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).