3-trimethoxysilylpropane-1,1-diamine

C6H18N2O3Si — CID 14959383

IUPAC3-trimethoxysilylpropane-1,1-diamine
SMILESCO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)5-4-6(7)8/h6H,4-5,7-8H2,1-3H3
InChIKeyQJZPLHJPNXHDQR-UHFFFAOYSA-N
MW194.31 g/mol
LogP-0.50
Rot. Bonds6

About 3-trimethoxysilylpropane-1,1-diamine

3-trimethoxysilylpropane-1,1-diamine (PubChem CID 14959383) has the molecular formula C6H18N2O3Si and a molecular weight of 194.31 g/mol. Its IUPAC name is 3-trimethoxysilylpropane-1,1-diamine.

Molecular Properties

Compound Name3-trimethoxysilylpropane-1,1-diamine
PubChem CID14959383
Molecular FormulaC6H18N2O3Si
Molecular Weight194.31 g/mol
Exact Mass194.11
IUPAC Name3-trimethoxysilylpropane-1,1-diamine
SMILESCO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)5-4-6(7)8/h6H,4-5,7-8H2,1-3H3
InChIKeyQJZPLHJPNXHDQR-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropane-1,1-diamine?
The IUPAC name of 3-trimethoxysilylpropane-1,1-diamine (CID 14959383) is 3-trimethoxysilylpropane-1,1-diamine.
What is the SMILES notation for 3-trimethoxysilylpropane-1,1-diamine?
The canonical SMILES for 3-trimethoxysilylpropane-1,1-diamine is CO[Si](CCC(N)N)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropane-1,1-diamine?
The InChIKey is QJZPLHJPNXHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N2O3Si/c1-9-12(10-2,11-3)5-4-6(7)8/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropane-1,1-diamine?
3-trimethoxysilylpropane-1,1-diamine has a molecular weight of 194.31 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropane-1,1-diamine is sourced from PubChem (CID 14959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).