3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine

C11H27NSSi — CID 21288019

IUPAC3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine
SMILESCCCC[Si](C)(C)CCSCCCN
InChIInChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-9-13-8-6-7-12/h4-12H2,1-3H3
InChIKeyXMGKGUIYXIWZMH-UHFFFAOYSA-N
MW233.50 g/mol
LogP3.58
Rot. Bonds9

About 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine

3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine (PubChem CID 21288019) has the molecular formula C11H27NSSi and a molecular weight of 233.50 g/mol. Its IUPAC name is 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine
PubChem CID21288019
Molecular FormulaC11H27NSSi
Molecular Weight233.50 g/mol
Exact Mass233.16
IUPAC Name3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine
SMILESCCCC[Si](C)(C)CCSCCCN
InChIInChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-9-13-8-6-7-12/h4-12H2,1-3H3
InChIKeyXMGKGUIYXIWZMH-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 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine?
The IUPAC name of 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine (CID 21288019) is 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine is CCCC[Si](C)(C)CCSCCCN.
What is the InChIKey of 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine?
The InChIKey is XMGKGUIYXIWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NSSi/c1-4-5-10-14(2,3)11-9-13-8-6-7-12/h4-12H2,1-3H3.
What are the key properties of 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine?
3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine 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 3-[2-[butyl(dimethyl)silyl]ethylsulfanyl]propan-1-amine is sourced from PubChem (CID 21288019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).