N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline

C20H34N2O6Si2 — CID 159099348

IUPACN-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline
SMILESCO[Si](C)(OC)OCNc1ccccc1.CO[Si](CNc1ccccc1)(OC)OC
InChIInChI=1S/2C10H17NO3Si/c1-12-15(3,13-2)14-9-11-10-7-5-4-6-8-10;1-12-15(13-2,14-3)9-11-10-7-5-4-6-8-10/h2*4-8,11H,9H2,1-3H3
InChIKeyKDBSTBFSCADNRG-UHFFFAOYSA-N
MW454.67 g/mol
LogP3.45
Rot. Bonds12

About N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline

N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline (PubChem CID 159099348) has the molecular formula C20H34N2O6Si2 and a molecular weight of 454.67 g/mol. Its IUPAC name is N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline.

Molecular Properties

Compound NameN-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline
PubChem CID159099348
Molecular FormulaC20H34N2O6Si2
Molecular Weight454.67 g/mol
Exact Mass454.20
IUPAC NameN-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline
SMILESCO[Si](C)(OC)OCNc1ccccc1.CO[Si](CNc1ccccc1)(OC)OC
InChIInChI=1S/2C10H17NO3Si/c1-12-15(3,13-2)14-9-11-10-7-5-4-6-8-10;1-12-15(13-2,14-3)9-11-10-7-5-4-6-8-10/h2*4-8,11H,9H2,1-3H3
InChIKeyKDBSTBFSCADNRG-UHFFFAOYSA-N
XLogP3.45
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.67
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)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

N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
N'-phenyl-N-(trimethoxysilylmethyl)methanediamine
CID 175370064
N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline
CID 70587297
N-(trimethylsilylmethyl)aniline
CID 15743444
CID 165388786
CID 165388786
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
N-(silyloxymethyl)aniline
CID 123201342
N-(methoxymethyl)-3-phenyldiazenylaniline
CID 23618912
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
dimethoxy-methyl-(3-phenylprop-2-enoxy)silane
CID 74935148

Frequently Asked Questions

What is the IUPAC name of N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline?
The IUPAC name of N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline (CID 159099348) is N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline.
What is the SMILES notation for N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline?
The canonical SMILES for N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline is CO[Si](C)(OC)OCNc1ccccc1.CO[Si](CNc1ccccc1)(OC)OC.
What is the InChIKey of N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline?
The InChIKey is KDBSTBFSCADNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO3Si/c1-12-15(3,13-2)14-9-11-10-7-5-4-6-8-10;1-12-15(13-2,14-3)9-11-10-7-5-4-6-8-10/h2*4-8,11H,9H2,1-3H3.
What are the key properties of N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline?
N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline has a molecular weight of 454.67 g/mol, XLogP of 3.45, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline is sourced from PubChem (CID 159099348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).