4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine

C34H46N2O2Si3 — CID 69455850

IUPAC4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine
SMILESC[Si](C)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46N2O2Si3/c1-39(2,37-40(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)38-41(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3
InChIKeyIVTFOJVBQHGLJP-UHFFFAOYSA-N
MW599.01 g/mol
LogP4.72
Rot. Bonds16

About 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine

4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine (PubChem CID 69455850) has the molecular formula C34H46N2O2Si3 and a molecular weight of 599.01 g/mol. Its IUPAC name is 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine.

Molecular Properties

Compound Name4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine
PubChem CID69455850
Molecular FormulaC34H46N2O2Si3
Molecular Weight599.01 g/mol
Exact Mass598.29
IUPAC Name4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine
SMILESC[Si](C)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46N2O2Si3/c1-39(2,37-40(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)38-41(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3
InChIKeyIVTFOJVBQHGLJP-UHFFFAOYSA-N
XLogP4.72
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.01
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine?
The IUPAC name of 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine (CID 69455850) is 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine.
What is the SMILES notation for 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine?
The canonical SMILES for 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine is C[Si](C)(O[Si](CCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine?
The InChIKey is IVTFOJVBQHGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O2Si3/c1-39(2,37-40(29-17-15-27-35,31-19-7-3-8-20-31)32-21-9-4-10-22-32)38-41(30-18-16-28-36,33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-14,19-26H,15-18,27-30,35-36H2,1-2H3.
What are the key properties of 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine?
4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine has a molecular weight of 599.01 g/mol, XLogP of 4.72, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-aminobutyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]butan-1-amine is sourced from PubChem (CID 69455850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).