N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline

C41H75N3O5Si5 — CID 158236338

IUPACN-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline
SMILESCCO[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)O[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)OCC.C[Si](C)(C)Nc1ccccc1
InChIInChI=1S/C32H60N2O5Si4.C9H15NSi/c1-11-35-42(36-12-2,29-21-27-33(40(5,6)7)31-23-17-15-18-24-31)39-43(37-13-3,38-14-4)30-22-28-34(41(8,9)10)32-25-19-16-20-26-32;1-11(2,3)10-9-7-5-4-6-8-9/h15-20,23-26H,11-14,21-22,27-30H2,1-10H3;4-8,10H,1-3H3
InChIKeyGEZUPFCZKLWZLV-UHFFFAOYSA-N
MW830.50 g/mol
LogP11.42
Rot. Bonds24

About N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline

N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline (PubChem CID 158236338) has the molecular formula C41H75N3O5Si5 and a molecular weight of 830.50 g/mol. Its IUPAC name is N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline.

Molecular Properties

Compound NameN-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline
PubChem CID158236338
Molecular FormulaC41H75N3O5Si5
Molecular Weight830.50 g/mol
Exact Mass829.46
IUPAC NameN-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline
SMILESCCO[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)O[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)OCC.C[Si](C)(C)Nc1ccccc1
InChIInChI=1S/C32H60N2O5Si4.C9H15NSi/c1-11-35-42(36-12-2,29-21-27-33(40(5,6)7)31-23-17-15-18-24-31)39-43(37-13-3,38-14-4)30-22-28-34(41(8,9)10)32-25-19-16-20-26-32;1-11(2,3)10-9-7-5-4-6-8-9/h15-20,23-26H,11-14,21-22,27-30H2,1-10H3;4-8,10H,1-3H3
InChIKeyGEZUPFCZKLWZLV-UHFFFAOYSA-N
XLogP11.42
TPSA64.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.50
LogP ≤ 511.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
CID 15397513
2-methyl-N-[4-[N-(3-triethoxysilylpropyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920589
N-phenyl-4-triethoxysilylbutanamide
CID 150591248
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
CID 175770295
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
N-[3-[ethenyl(dimethyl)silyl]propyl]-N-triethylsilylaniline
CID 68779162
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-propyl-3-triethoxysilyl-N-trimethylsilylpropan-1-amine
CID 90265370
N-[diethoxy(2-methylpropyl)silyl]aniline
CID 139792161
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127

Frequently Asked Questions

What is the IUPAC name of N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline?
The IUPAC name of N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline (CID 158236338) is N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline.
What is the SMILES notation for N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline?
The canonical SMILES for N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline is CCO[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)O[Si](CCCN(c1ccccc1)[Si](C)(C)C)(OCC)OCC.C[Si](C)(C)Nc1ccccc1.
What is the InChIKey of N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline?
The InChIKey is GEZUPFCZKLWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O5Si4.C9H15NSi/c1-11-35-42(36-12-2,29-21-27-33(40(5,6)7)31-23-17-15-18-24-31)39-43(37-13-3,38-14-4)30-22-28-34(41(8,9)10)32-25-19-16-20-26-32;1-11(2,3)10-9-7-5-4-6-8-9/h15-20,23-26H,11-14,21-22,27-30H2,1-10H3;4-8,10H,1-3H3.
What are the key properties of N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline?
N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline has a molecular weight of 830.50 g/mol, XLogP of 11.42, 24 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[diethoxy-[3-(N-trimethylsilylanilino)propyl]silyl]oxy-diethoxysilyl]propyl]-N-trimethylsilylaniline;N-trimethylsilylaniline is sourced from PubChem (CID 158236338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).