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

C9H23NO3SSi — CID 20730052

IUPAC1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine
SMILESCO[Si](CCCSCC(C)N)(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3
InChIKeyVFCWIPCZBRFBSX-UHFFFAOYSA-N
MW253.44 g/mol
LogP1.34
Rot. Bonds9

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

1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine (PubChem CID 20730052) has the molecular formula C9H23NO3SSi and a molecular weight of 253.44 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine
PubChem CID20730052
Molecular FormulaC9H23NO3SSi
Molecular Weight253.44 g/mol
Exact Mass253.12
IUPAC Name1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine
SMILESCO[Si](CCCSCC(C)N)(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3
InChIKeyVFCWIPCZBRFBSX-UHFFFAOYSA-N
XLogP1.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 51.34
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 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine (CID 20730052) is 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine is CO[Si](CCCSCC(C)N)(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine?
The InChIKey is VFCWIPCZBRFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine?
1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine has a molecular weight of 253.44 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 20730052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).