2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine

C10H25NSSi — CID 15594391

IUPAC2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
SMILESCC(C)[Si](C)(C)CCCSCCN
InChIInChI=1S/C10H25NSSi/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10H,5-9,11H2,1-4H3
InChIKeyIZFDBTBURBIWCQ-UHFFFAOYSA-N
MW219.47 g/mol
LogP3.19
Rot. Bonds7

About 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine

2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine (PubChem CID 15594391) has the molecular formula C10H25NSSi and a molecular weight of 219.47 g/mol. Its IUPAC name is 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
PubChem CID15594391
Molecular FormulaC10H25NSSi
Molecular Weight219.47 g/mol
Exact Mass219.15
IUPAC Name2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
SMILESCC(C)[Si](C)(C)CCCSCCN
InChIInChI=1S/C10H25NSSi/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10H,5-9,11H2,1-4H3
InChIKeyIZFDBTBURBIWCQ-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 53.19
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 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The IUPAC name of 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine (CID 15594391) is 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine.
What is the SMILES notation for 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The canonical SMILES for 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine is CC(C)[Si](C)(C)CCCSCCN.
What is the InChIKey of 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The InChIKey is IZFDBTBURBIWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NSSi/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine has a molecular weight of 219.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine is sourced from PubChem (CID 15594391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).