2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine

C11H27NSSi — CID 21288015

IUPAC2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine
SMILESCCCC[Si](C)(C)CCCSCCN
InChIInChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-6-8-13-9-7-12/h4-12H2,1-3H3
InChIKeyZRHAFABHJVSPEA-UHFFFAOYSA-N
MW233.50 g/mol
LogP3.58
Rot. Bonds9

About 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine

2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine (PubChem CID 21288015) has the molecular formula C11H27NSSi and a molecular weight of 233.50 g/mol. Its IUPAC name is 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine
PubChem CID21288015
Molecular FormulaC11H27NSSi
Molecular Weight233.50 g/mol
Exact Mass233.16
IUPAC Name2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine
SMILESCCCC[Si](C)(C)CCCSCCN
InChIInChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-6-8-13-9-7-12/h4-12H2,1-3H3
InChIKeyZRHAFABHJVSPEA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine?
The IUPAC name of 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine (CID 21288015) is 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine.
What is the SMILES notation for 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine?
The canonical SMILES for 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine is CCCC[Si](C)(C)CCCSCCN.
What is the InChIKey of 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine?
The InChIKey is ZRHAFABHJVSPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-6-8-13-9-7-12/h4-12H2,1-3H3.
What are the key properties of 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine?
2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine has a molecular weight of 233.50 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[butyl(dimethyl)silyl]propylsulfanyl]ethanamine is sourced from PubChem (CID 21288015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).