3-(2-trimethoxysilylethylsulfanyl)propan-1-amine

C8H21NO3SSi — CID 59561196

IUPAC3-(2-trimethoxysilylethylsulfanyl)propan-1-amine
SMILESCO[Si](CCSCCCN)(OC)OC
InChIInChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-7-13-6-4-5-9/h4-9H2,1-3H3
InChIKeyBXVRIMZAITWPJO-UHFFFAOYSA-N
MW239.41 g/mol
LogP0.95
Rot. Bonds9

About 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine

3-(2-trimethoxysilylethylsulfanyl)propan-1-amine (PubChem CID 59561196) has the molecular formula C8H21NO3SSi and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-trimethoxysilylethylsulfanyl)propan-1-amine
PubChem CID59561196
Molecular FormulaC8H21NO3SSi
Molecular Weight239.41 g/mol
Exact Mass239.10
IUPAC Name3-(2-trimethoxysilylethylsulfanyl)propan-1-amine
SMILESCO[Si](CCSCCCN)(OC)OC
InChIInChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-7-13-6-4-5-9/h4-9H2,1-3H3
InChIKeyBXVRIMZAITWPJO-UHFFFAOYSA-N
XLogP0.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-trimethoxysilylethylsulfanyl)propan-1-amine?
The IUPAC name of 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine (CID 59561196) is 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine is CO[Si](CCSCCCN)(OC)OC.
What is the InChIKey of 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine?
The InChIKey is BXVRIMZAITWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-7-13-6-4-5-9/h4-9H2,1-3H3.
What are the key properties of 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine?
3-(2-trimethoxysilylethylsulfanyl)propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethoxysilylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 59561196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).