1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine

C11H28N2O3SSi — CID 20730094

IUPAC1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine
SMILESCO[Si](CCCSCC(N)CC(C)N)(OC)OC
InChIInChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3
InChIKeyGYKABUGIJGLSLR-UHFFFAOYSA-N
MW296.51 g/mol
LogP1.05
Rot. Bonds11

About 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine

1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine (PubChem CID 20730094) has the molecular formula C11H28N2O3SSi and a molecular weight of 296.51 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine
PubChem CID20730094
Molecular FormulaC11H28N2O3SSi
Molecular Weight296.51 g/mol
Exact Mass296.16
IUPAC Name1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine
SMILESCO[Si](CCCSCC(N)CC(C)N)(OC)OC
InChIInChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3
InChIKeyGYKABUGIJGLSLR-UHFFFAOYSA-N
XLogP1.05
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.51
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine?
The IUPAC name of 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine (CID 20730094) is 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine.
What is the SMILES notation for 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine?
The canonical SMILES for 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine is CO[Si](CCCSCC(N)CC(C)N)(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine?
The InChIKey is GYKABUGIJGLSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3.
What are the key properties of 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine?
1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine has a molecular weight of 296.51 g/mol, XLogP of 1.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropylsulfanyl)pentane-2,4-diamine is sourced from PubChem (CID 20730094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).