3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane

C14H32N2O3Si — CID 59927468

IUPAC3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane
SMILESCCCCN1CCN(CCC[Si](OC)(OC)OC)C1C
InChIInChI=1S/C14H32N2O3Si/c1-6-7-9-15-11-12-16(14(15)2)10-8-13-20(17-3,18-4)19-5/h14H,6-13H2,1-5H3
InChIKeyDWKRPFRPTQCAFL-UHFFFAOYSA-N
MW304.51 g/mol
LogP2.02
Rot. Bonds10

About 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane

3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane (PubChem CID 59927468) has the molecular formula C14H32N2O3Si and a molecular weight of 304.51 g/mol. Its IUPAC name is 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane
PubChem CID59927468
Molecular FormulaC14H32N2O3Si
Molecular Weight304.51 g/mol
Exact Mass304.22
IUPAC Name3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane
SMILESCCCCN1CCN(CCC[Si](OC)(OC)OC)C1C
InChIInChI=1S/C14H32N2O3Si/c1-6-7-9-15-11-12-16(14(15)2)10-8-13-20(17-3,18-4)19-5/h14H,6-13H2,1-5H3
InChIKeyDWKRPFRPTQCAFL-UHFFFAOYSA-N
XLogP2.02
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane?
The IUPAC name of 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane (CID 59927468) is 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane?
The canonical SMILES for 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane is CCCCN1CCN(CCC[Si](OC)(OC)OC)C1C.
What is the InChIKey of 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane?
The InChIKey is DWKRPFRPTQCAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3Si/c1-6-7-9-15-11-12-16(14(15)2)10-8-13-20(17-3,18-4)19-5/h14H,6-13H2,1-5H3.
What are the key properties of 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane?
3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane has a molecular weight of 304.51 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-2-methylimidazolidin-1-yl)propyl-trimethoxysilane is sourced from PubChem (CID 59927468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).