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

C8H21NSSi — CID 21288012

IUPAC3-(2-trimethylsilylethylsulfanyl)propan-1-amine
SMILESC[Si](C)(C)CCSCCCN
InChIInChI=1S/C8H21NSSi/c1-11(2,3)8-7-10-6-4-5-9/h4-9H2,1-3H3
InChIKeyJXMVHGKRWCFEBH-UHFFFAOYSA-N
MW191.42 g/mol
LogP2.41
Rot. Bonds6

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

3-(2-trimethylsilylethylsulfanyl)propan-1-amine (PubChem CID 21288012) has the molecular formula C8H21NSSi and a molecular weight of 191.42 g/mol. Its IUPAC name is 3-(2-trimethylsilylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-trimethylsilylethylsulfanyl)propan-1-amine
PubChem CID21288012
Molecular FormulaC8H21NSSi
Molecular Weight191.42 g/mol
Exact Mass191.12
IUPAC Name3-(2-trimethylsilylethylsulfanyl)propan-1-amine
SMILESC[Si](C)(C)CCSCCCN
InChIInChI=1S/C8H21NSSi/c1-11(2,3)8-7-10-6-4-5-9/h4-9H2,1-3H3
InChIKeyJXMVHGKRWCFEBH-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethylsulfanyl)propan-1-amine?
The IUPAC name of 3-(2-trimethylsilylethylsulfanyl)propan-1-amine (CID 21288012) is 3-(2-trimethylsilylethylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(2-trimethylsilylethylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(2-trimethylsilylethylsulfanyl)propan-1-amine is C[Si](C)(C)CCSCCCN.
What is the InChIKey of 3-(2-trimethylsilylethylsulfanyl)propan-1-amine?
The InChIKey is JXMVHGKRWCFEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NSSi/c1-11(2,3)8-7-10-6-4-5-9/h4-9H2,1-3H3.
What are the key properties of 3-(2-trimethylsilylethylsulfanyl)propan-1-amine?
3-(2-trimethylsilylethylsulfanyl)propan-1-amine 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 3-(2-trimethylsilylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 21288012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).