N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline

C21H32N2O3Si — CID 151955793

IUPACN-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
SMILESCO[Si](CCCNc1ccccc1)(OC)OCCCCNc1ccccc1
InChIInChI=1S/C21H32N2O3Si/c1-24-27(25-2,19-11-17-23-21-14-7-4-8-15-21)26-18-10-9-16-22-20-12-5-3-6-13-20/h3-8,12-15,22-23H,9-11,16-19H2,1-2H3
InChIKeyTXPIYAUTQJVVNW-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.63
Rot. Bonds14

About N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline

N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline (PubChem CID 151955793) has the molecular formula C21H32N2O3Si and a molecular weight of 388.58 g/mol. Its IUPAC name is N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline.

Molecular Properties

Compound NameN-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
PubChem CID151955793
Molecular FormulaC21H32N2O3Si
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC NameN-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
SMILESCO[Si](CCCNc1ccccc1)(OC)OCCCCNc1ccccc1
InChIInChI=1S/C21H32N2O3Si/c1-24-27(25-2,19-11-17-23-21-14-7-4-8-15-21)26-18-10-9-16-22-20-12-5-3-6-13-20/h3-8,12-15,22-23H,9-11,16-19H2,1-2H3
InChIKeyTXPIYAUTQJVVNW-UHFFFAOYSA-N
XLogP4.63
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 165388786
CID 165388786
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
N-(4-methoxybutyl)aniline
CID 13042774
N-[3-[[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propyl]aniline
CID 171623543
triethoxy(3-isocyanatopropyl)silane;N-(3-trimethoxysilylpropyl)aniline
CID 159457965
N-[5-[ethyl(dimethoxy)silyl]pentyl]aniline
CID 142705911
N-(4-trimethylsilylbutyl)aniline
CID 172713134
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
N-(12-ethoxydodecyl)aniline
CID 54545171
N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
CID 67533346
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline?
The IUPAC name of N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline (CID 151955793) is N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline.
What is the SMILES notation for N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline?
The canonical SMILES for N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline is CO[Si](CCCNc1ccccc1)(OC)OCCCCNc1ccccc1.
What is the InChIKey of N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline?
The InChIKey is TXPIYAUTQJVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3Si/c1-24-27(25-2,19-11-17-23-21-14-7-4-8-15-21)26-18-10-9-16-22-20-12-5-3-6-13-20/h3-8,12-15,22-23H,9-11,16-19H2,1-2H3.
What are the key properties of N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline?
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline has a molecular weight of 388.58 g/mol, XLogP of 4.63, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline is sourced from PubChem (CID 151955793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).