4-(1-dimethylsilylbut-3-enoxy)aniline

C12H19NOSi — CID 173436135

IUPAC4-(1-dimethylsilylbut-3-enoxy)aniline
SMILESC=CCC(Oc1ccc(N)cc1)[SiH](C)C
InChIInChI=1S/C12H19NOSi/c1-4-5-12(15(2)3)14-11-8-6-10(13)7-9-11/h4,6-9,12,15H,1,5,13H2,2-3H3
InChIKeyAWICMHDSLICNOS-UHFFFAOYSA-N
MW221.38 g/mol
LogP2.62
Rot. Bonds5

About 4-(1-dimethylsilylbut-3-enoxy)aniline

4-(1-dimethylsilylbut-3-enoxy)aniline (PubChem CID 173436135) has the molecular formula C12H19NOSi and a molecular weight of 221.38 g/mol. Its IUPAC name is 4-(1-dimethylsilylbut-3-enoxy)aniline.

Molecular Properties

Compound Name4-(1-dimethylsilylbut-3-enoxy)aniline
PubChem CID173436135
Molecular FormulaC12H19NOSi
Molecular Weight221.38 g/mol
Exact Mass221.12
IUPAC Name4-(1-dimethylsilylbut-3-enoxy)aniline
SMILESC=CCC(Oc1ccc(N)cc1)[SiH](C)C
InChIInChI=1S/C12H19NOSi/c1-4-5-12(15(2)3)14-11-8-6-10(13)7-9-11/h4,6-9,12,15H,1,5,13H2,2-3H3
InChIKeyAWICMHDSLICNOS-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(1-dimethylsilylbut-3-enoxy)aniline 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 4-(1-dimethylsilylbut-3-enoxy)aniline?
The IUPAC name of 4-(1-dimethylsilylbut-3-enoxy)aniline (CID 173436135) is 4-(1-dimethylsilylbut-3-enoxy)aniline.
What is the SMILES notation for 4-(1-dimethylsilylbut-3-enoxy)aniline?
The canonical SMILES for 4-(1-dimethylsilylbut-3-enoxy)aniline is C=CCC(Oc1ccc(N)cc1)[SiH](C)C.
What is the InChIKey of 4-(1-dimethylsilylbut-3-enoxy)aniline?
The InChIKey is AWICMHDSLICNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOSi/c1-4-5-12(15(2)3)14-11-8-6-10(13)7-9-11/h4,6-9,12,15H,1,5,13H2,2-3H3.
What are the key properties of 4-(1-dimethylsilylbut-3-enoxy)aniline?
4-(1-dimethylsilylbut-3-enoxy)aniline has a molecular weight of 221.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dimethylsilylbut-3-enoxy)aniline is sourced from PubChem (CID 173436135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).