N-(3-trihydroxysilylpropyl)aniline

C9H15NO3Si — CID 140901816

IUPACN-(3-trihydroxysilylpropyl)aniline
SMILESO[Si](O)(O)CCCNc1ccccc1
InChIInChI=1S/C9H15NO3Si/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2
InChIKeyOCRQQUDJINPMCG-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.40
Rot. Bonds5

About N-(3-trihydroxysilylpropyl)aniline

N-(3-trihydroxysilylpropyl)aniline (PubChem CID 140901816) has the molecular formula C9H15NO3Si and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(3-trihydroxysilylpropyl)aniline.

Molecular Properties

Compound NameN-(3-trihydroxysilylpropyl)aniline
PubChem CID140901816
Molecular FormulaC9H15NO3Si
Molecular Weight213.31 g/mol
Exact Mass213.08
IUPAC NameN-(3-trihydroxysilylpropyl)aniline
SMILESO[Si](O)(O)CCCNc1ccccc1
InChIInChI=1S/C9H15NO3Si/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2
InChIKeyOCRQQUDJINPMCG-UHFFFAOYSA-N
XLogP0.40
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
4-anilinobutanamide
CID 67066705
N-(4-trimethylsilylbutyl)aniline
CID 172713134
10-anilinodecan-1-ol
CID 10955954
CID 165388786
CID 165388786
5-anilinopentanoic acid
CID 28972030
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
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-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-(5-bromopentyl)aniline
CID 20759134
N-nonadecylaniline
CID 54509054

Frequently Asked Questions

What is the IUPAC name of N-(3-trihydroxysilylpropyl)aniline?
The IUPAC name of N-(3-trihydroxysilylpropyl)aniline (CID 140901816) is N-(3-trihydroxysilylpropyl)aniline.
What is the SMILES notation for N-(3-trihydroxysilylpropyl)aniline?
The canonical SMILES for N-(3-trihydroxysilylpropyl)aniline is O[Si](O)(O)CCCNc1ccccc1.
What is the InChIKey of N-(3-trihydroxysilylpropyl)aniline?
The InChIKey is OCRQQUDJINPMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3Si/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2.
What are the key properties of N-(3-trihydroxysilylpropyl)aniline?
N-(3-trihydroxysilylpropyl)aniline has a molecular weight of 213.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trihydroxysilylpropyl)aniline is sourced from PubChem (CID 140901816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).