N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline

C18H33NO3SSi — CID 175770295

IUPACN-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
SMILESCCO[Si](CCCSCCCNc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H33NO3SSi/c1-4-20-24(21-5-2,22-6-3)17-11-16-23-15-10-14-19-18-12-8-7-9-13-18/h7-9,12-13,19H,4-6,10-11,14-17H2,1-3H3
InChIKeyAKCDYMGGKBBGMV-UHFFFAOYSA-N
MW371.62 g/mol
LogP4.66
Rot. Bonds15

About N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline

N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline (PubChem CID 175770295) has the molecular formula C18H33NO3SSi and a molecular weight of 371.62 g/mol. Its IUPAC name is N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
PubChem CID175770295
Molecular FormulaC18H33NO3SSi
Molecular Weight371.62 g/mol
Exact Mass371.20
IUPAC NameN-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
SMILESCCO[Si](CCCSCCCNc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H33NO3SSi/c1-4-20-24(21-5-2,22-6-3)17-11-16-23-15-10-14-19-18-12-8-7-9-13-18/h7-9,12-13,19H,4-6,10-11,14-17H2,1-3H3
InChIKeyAKCDYMGGKBBGMV-UHFFFAOYSA-N
XLogP4.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
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

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
3-triethoxysilylpropyl N,N'-diphenylcarbamimidothioate
CID 91997824
CID 165388786
CID 165388786
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
N-(2-propylsulfanylethyl)aniline
CID 62577965
N-phenyl-4-triethoxysilylbutanamide
CID 150591248
3-triethoxysilylpropyl N,N-dibenzylcarbamodithioate
CID 54497623
N-(3-propan-2-ylsulfanylpropyl)aniline
CID 62579295
N-[3-(1-methylpyrazol-4-yl)sulfanylpropyl]aniline
CID 62582126
N-(4-trimethylsilylbutyl)aniline
CID 172713134

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline?
The IUPAC name of N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline (CID 175770295) is N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline.
What is the SMILES notation for N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline?
The canonical SMILES for N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline is CCO[Si](CCCSCCCNc1ccccc1)(OCC)OCC.
What is the InChIKey of N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline?
The InChIKey is AKCDYMGGKBBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3SSi/c1-4-20-24(21-5-2,22-6-3)17-11-16-23-15-10-14-19-18-12-8-7-9-13-18/h7-9,12-13,19H,4-6,10-11,14-17H2,1-3H3.
What are the key properties of N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline?
N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline has a molecular weight of 371.62 g/mol, XLogP of 4.66, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline is sourced from PubChem (CID 175770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).