3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine

C12H29NSSi — CID 15594394

IUPAC3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine
SMILESCCCC[Si](C)(C)CCCSCCCN
InChIInChI=1S/C12H29NSSi/c1-4-5-11-15(2,3)12-7-10-14-9-6-8-13/h4-13H2,1-3H3
InChIKeyUBPGQMZWCGYHSD-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.97
Rot. Bonds10

About 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine

3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine (PubChem CID 15594394) has the molecular formula C12H29NSSi and a molecular weight of 247.52 g/mol. Its IUPAC name is 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine
PubChem CID15594394
Molecular FormulaC12H29NSSi
Molecular Weight247.52 g/mol
Exact Mass247.18
IUPAC Name3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine
SMILESCCCC[Si](C)(C)CCCSCCCN
InChIInChI=1S/C12H29NSSi/c1-4-5-11-15(2,3)12-7-10-14-9-6-8-13/h4-13H2,1-3H3
InChIKeyUBPGQMZWCGYHSD-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.97
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 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine?
The IUPAC name of 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine (CID 15594394) is 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine is CCCC[Si](C)(C)CCCSCCCN.
What is the InChIKey of 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine?
The InChIKey is UBPGQMZWCGYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NSSi/c1-4-5-11-15(2,3)12-7-10-14-9-6-8-13/h4-13H2,1-3H3.
What are the key properties of 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine?
3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine has a molecular weight of 247.52 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propan-1-amine is sourced from PubChem (CID 15594394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).