2,3-bis(3-triethoxysilylpropyl)aniline

C24H47NO6Si2 — CID 69038548

IUPAC2,3-bis(3-triethoxysilylpropyl)aniline
SMILESCCO[Si](CCCc1cccc(N)c1CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H47NO6Si2/c1-7-26-32(27-8-2,28-9-3)20-14-17-22-16-13-19-24(25)23(22)18-15-21-33(29-10-4,30-11-5)31-12-6/h13,16,19H,7-12,14-15,17-18,20-21,25H2,1-6H3
InChIKeyCCXREHIPSLADFP-UHFFFAOYSA-N
MW501.81 g/mol
LogP5.23
Rot. Bonds20

About 2,3-bis(3-triethoxysilylpropyl)aniline

2,3-bis(3-triethoxysilylpropyl)aniline (PubChem CID 69038548) has the molecular formula C24H47NO6Si2 and a molecular weight of 501.81 g/mol. Its IUPAC name is 2,3-bis(3-triethoxysilylpropyl)aniline.

Molecular Properties

Compound Name2,3-bis(3-triethoxysilylpropyl)aniline
PubChem CID69038548
Molecular FormulaC24H47NO6Si2
Molecular Weight501.81 g/mol
Exact Mass501.29
IUPAC Name2,3-bis(3-triethoxysilylpropyl)aniline
SMILESCCO[Si](CCCc1cccc(N)c1CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H47NO6Si2/c1-7-26-32(27-8-2,28-9-3)20-14-17-22-16-13-19-24(25)23(22)18-15-21-33(29-10-4,30-11-5)31-12-6/h13,16,19H,7-12,14-15,17-18,20-21,25H2,1-6H3
InChIKeyCCXREHIPSLADFP-UHFFFAOYSA-N
XLogP5.23
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.81
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,3-bis(3-triethoxysilylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane
CID 139758917
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
ethyl 3-[2-amino-6-[3-[di(propan-2-yl)amino]propyl]phenyl]propanoate
CID 174438100
3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane
CID 91394935
triethoxy-[3-(3-methylthiophen-2-yl)propyl]silane
CID 139649676
triethoxy-[9-[6-(9-triethoxysilylnonyl)-1,10-phenanthrolin-5-yl]nonyl]silane
CID 155602682
2-decylbenzene-1,3-diamine
CID 141061522
(2-butyl-6-methylphenyl)methanamine
CID 163670855
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-triethoxysilylpropyl)aniline?
The IUPAC name of 2,3-bis(3-triethoxysilylpropyl)aniline (CID 69038548) is 2,3-bis(3-triethoxysilylpropyl)aniline.
What is the SMILES notation for 2,3-bis(3-triethoxysilylpropyl)aniline?
The canonical SMILES for 2,3-bis(3-triethoxysilylpropyl)aniline is CCO[Si](CCCc1cccc(N)c1CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2,3-bis(3-triethoxysilylpropyl)aniline?
The InChIKey is CCXREHIPSLADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO6Si2/c1-7-26-32(27-8-2,28-9-3)20-14-17-22-16-13-19-24(25)23(22)18-15-21-33(29-10-4,30-11-5)31-12-6/h13,16,19H,7-12,14-15,17-18,20-21,25H2,1-6H3.
What are the key properties of 2,3-bis(3-triethoxysilylpropyl)aniline?
2,3-bis(3-triethoxysilylpropyl)aniline has a molecular weight of 501.81 g/mol, XLogP of 5.23, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-triethoxysilylpropyl)aniline is sourced from PubChem (CID 69038548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).