3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine

C11H27NSSi — CID 15594390

IUPAC3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine
SMILESCC(C)[Si](C)(C)CCCSCCCN
InChIInChI=1S/C11H27NSSi/c1-11(2)14(3,4)10-6-9-13-8-5-7-12/h11H,5-10,12H2,1-4H3
InChIKeyISIQIUBBNQQBEB-UHFFFAOYSA-N
MW233.50 g/mol
LogP3.58
Rot. Bonds8

About 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine

3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine (PubChem CID 15594390) has the molecular formula C11H27NSSi and a molecular weight of 233.50 g/mol. Its IUPAC name is 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine
PubChem CID15594390
Molecular FormulaC11H27NSSi
Molecular Weight233.50 g/mol
Exact Mass233.16
IUPAC Name3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine
SMILESCC(C)[Si](C)(C)CCCSCCCN
InChIInChI=1S/C11H27NSSi/c1-11(2)14(3,4)10-6-9-13-8-5-7-12/h11H,5-10,12H2,1-4H3
InChIKeyISIQIUBBNQQBEB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 53.58
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-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine?
The IUPAC name of 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine (CID 15594390) is 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine is CC(C)[Si](C)(C)CCCSCCCN.
What is the InChIKey of 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine?
The InChIKey is ISIQIUBBNQQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NSSi/c1-11(2)14(3,4)10-6-9-13-8-5-7-12/h11H,5-10,12H2,1-4H3.
What are the key properties of 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine?
3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine has a molecular weight of 233.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propan-1-amine is sourced from PubChem (CID 15594390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).