2-(3-trimethylsilylpropylsulfanyl)ethanamine

C8H21NSSi — CID 13217137

IUPAC2-(3-trimethylsilylpropylsulfanyl)ethanamine
SMILESC[Si](C)(C)CCCSCCN
InChIInChI=1S/C8H21NSSi/c1-11(2,3)8-4-6-10-7-5-9/h4-9H2,1-3H3
InChIKeyHZFYPDCGQLWZQS-UHFFFAOYSA-N
MW191.42 g/mol
LogP2.41
Rot. Bonds6

About 2-(3-trimethylsilylpropylsulfanyl)ethanamine

2-(3-trimethylsilylpropylsulfanyl)ethanamine (PubChem CID 13217137) has the molecular formula C8H21NSSi and a molecular weight of 191.42 g/mol. Its IUPAC name is 2-(3-trimethylsilylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-trimethylsilylpropylsulfanyl)ethanamine
PubChem CID13217137
Molecular FormulaC8H21NSSi
Molecular Weight191.42 g/mol
Exact Mass191.12
IUPAC Name2-(3-trimethylsilylpropylsulfanyl)ethanamine
SMILESC[Si](C)(C)CCCSCCN
InChIInChI=1S/C8H21NSSi/c1-11(2,3)8-4-6-10-7-5-9/h4-9H2,1-3H3
InChIKeyHZFYPDCGQLWZQS-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.42
LogP ≤ 52.41
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'}

Analyze 2-(3-trimethylsilylpropylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylpropylsulfanyl)ethanamine?
The IUPAC name of 2-(3-trimethylsilylpropylsulfanyl)ethanamine (CID 13217137) is 2-(3-trimethylsilylpropylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-trimethylsilylpropylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-trimethylsilylpropylsulfanyl)ethanamine is C[Si](C)(C)CCCSCCN.
What is the InChIKey of 2-(3-trimethylsilylpropylsulfanyl)ethanamine?
The InChIKey is HZFYPDCGQLWZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NSSi/c1-11(2,3)8-4-6-10-7-5-9/h4-9H2,1-3H3.
What are the key properties of 2-(3-trimethylsilylpropylsulfanyl)ethanamine?
2-(3-trimethylsilylpropylsulfanyl)ethanamine has a molecular weight of 191.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylpropylsulfanyl)ethanamine is sourced from PubChem (CID 13217137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).