3-(3-trimethylsilylpropylsulfanyl)propan-1-amine

C9H23NSSi — CID 21288010

IUPAC3-(3-trimethylsilylpropylsulfanyl)propan-1-amine
SMILESC[Si](C)(C)CCCSCCCN
InChIInChI=1S/C9H23NSSi/c1-12(2,3)9-5-8-11-7-4-6-10/h4-10H2,1-3H3
InChIKeyJMOBCHBJJDSDKK-UHFFFAOYSA-N
MW205.44 g/mol
LogP2.80
Rot. Bonds7

About 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine

3-(3-trimethylsilylpropylsulfanyl)propan-1-amine (PubChem CID 21288010) has the molecular formula C9H23NSSi and a molecular weight of 205.44 g/mol. Its IUPAC name is 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-trimethylsilylpropylsulfanyl)propan-1-amine
PubChem CID21288010
Molecular FormulaC9H23NSSi
Molecular Weight205.44 g/mol
Exact Mass205.13
IUPAC Name3-(3-trimethylsilylpropylsulfanyl)propan-1-amine
SMILESC[Si](C)(C)CCCSCCCN
InChIInChI=1S/C9H23NSSi/c1-12(2,3)9-5-8-11-7-4-6-10/h4-10H2,1-3H3
InChIKeyJMOBCHBJJDSDKK-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.44
LogP ≤ 52.80
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-(3-trimethylsilylpropylsulfanyl)propan-1-amine?
The IUPAC name of 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine (CID 21288010) is 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine is C[Si](C)(C)CCCSCCCN.
What is the InChIKey of 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine?
The InChIKey is JMOBCHBJJDSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NSSi/c1-12(2,3)9-5-8-11-7-4-6-10/h4-10H2,1-3H3.
What are the key properties of 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine?
3-(3-trimethylsilylpropylsulfanyl)propan-1-amine has a molecular weight of 205.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 21288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).