2-trimethoxysilylpropane-1,3-diamine

C6H18N2O3Si — CID 20618080

IUPAC2-trimethoxysilylpropane-1,3-diamine
SMILESCO[Si](OC)(OC)C(CN)CN
InChIInChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)6(4-7)5-8/h6H,4-5,7-8H2,1-3H3
InChIKeyCXMDTAOFSAYTBR-UHFFFAOYSA-N
MW194.31 g/mol
LogP-0.85
Rot. Bonds6

About 2-trimethoxysilylpropane-1,3-diamine

2-trimethoxysilylpropane-1,3-diamine (PubChem CID 20618080) has the molecular formula C6H18N2O3Si and a molecular weight of 194.31 g/mol. Its IUPAC name is 2-trimethoxysilylpropane-1,3-diamine.

Molecular Properties

Compound Name2-trimethoxysilylpropane-1,3-diamine
PubChem CID20618080
Molecular FormulaC6H18N2O3Si
Molecular Weight194.31 g/mol
Exact Mass194.11
IUPAC Name2-trimethoxysilylpropane-1,3-diamine
SMILESCO[Si](OC)(OC)C(CN)CN
InChIInChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)6(4-7)5-8/h6H,4-5,7-8H2,1-3H3
InChIKeyCXMDTAOFSAYTBR-UHFFFAOYSA-N
XLogP-0.85
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-trimethoxysilylpropane-1,3-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 2-trimethoxysilylpropane-1,3-diamine?
The IUPAC name of 2-trimethoxysilylpropane-1,3-diamine (CID 20618080) is 2-trimethoxysilylpropane-1,3-diamine.
What is the SMILES notation for 2-trimethoxysilylpropane-1,3-diamine?
The canonical SMILES for 2-trimethoxysilylpropane-1,3-diamine is CO[Si](OC)(OC)C(CN)CN.
What is the InChIKey of 2-trimethoxysilylpropane-1,3-diamine?
The InChIKey is CXMDTAOFSAYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)6(4-7)5-8/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-trimethoxysilylpropane-1,3-diamine?
2-trimethoxysilylpropane-1,3-diamine has a molecular weight of 194.31 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylpropane-1,3-diamine is sourced from PubChem (CID 20618080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).