3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane

C13H30N2O3Si — CID 59927469

IUPAC3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane
SMILESCCCCN1CCN(CCC[Si](OC)(OC)OC)C1
InChIInChI=1S/C13H30N2O3Si/c1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4/h5-13H2,1-4H3
InChIKeyLOKNUGOBAJLZRH-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.63
Rot. Bonds10

About 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane

3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane (PubChem CID 59927469) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane
PubChem CID59927469
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane
SMILESCCCCN1CCN(CCC[Si](OC)(OC)OC)C1
InChIInChI=1S/C13H30N2O3Si/c1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4/h5-13H2,1-4H3
InChIKeyLOKNUGOBAJLZRH-UHFFFAOYSA-N
XLogP1.63
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane 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 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane?
The IUPAC name of 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane (CID 59927469) is 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane?
The canonical SMILES for 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane is CCCCN1CCN(CCC[Si](OC)(OC)OC)C1.
What is the InChIKey of 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane?
The InChIKey is LOKNUGOBAJLZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4/h5-13H2,1-4H3.
What are the key properties of 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane?
3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane has a molecular weight of 290.48 g/mol, XLogP of 1.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylimidazolidin-1-yl)propyl-trimethoxysilane is sourced from PubChem (CID 59927469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).