N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline

C17H30N4O3Si — CID 57208848

IUPACN-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline
SMILESCO[Si](CCCCN(CCCCN=[N+]=[N-])c1ccccc1)(OC)OC
InChIInChI=1S/C17H30N4O3Si/c1-22-25(23-2,24-3)16-10-9-15-21(14-8-7-13-19-20-18)17-11-5-4-6-12-17/h4-6,11-12H,7-10,13-16H2,1-3H3
InChIKeyBGLPXTXVBZXUIH-UHFFFAOYSA-N
MW366.54 g/mol
LogP4.24
Rot. Bonds14

About N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline

N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline (PubChem CID 57208848) has the molecular formula C17H30N4O3Si and a molecular weight of 366.54 g/mol. Its IUPAC name is N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline.

Molecular Properties

Compound NameN-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline
PubChem CID57208848
Molecular FormulaC17H30N4O3Si
Molecular Weight366.54 g/mol
Exact Mass366.21
IUPAC NameN-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline
SMILESCO[Si](CCCCN(CCCCN=[N+]=[N-])c1ccccc1)(OC)OC
InChIInChI=1S/C17H30N4O3Si/c1-22-25(23-2,24-3)16-10-9-15-21(14-8-7-13-19-20-18)17-11-5-4-6-12-17/h4-6,11-12H,7-10,13-16H2,1-3H3
InChIKeyBGLPXTXVBZXUIH-UHFFFAOYSA-N
XLogP4.24
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2-isocyanoethyl)-N-(3-trimethoxysilylpropyl)aniline
CID 140848670
CID 153437996
CID 153437996
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238
N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
CID 23561714
2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
CID 19897981
trimethoxy(12-phenyldodecyl)silane
CID 54325157
3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
CID 59966866
4-azidobutyl(triphenyl)phosphanium iodide
CID 170316714

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline?
The IUPAC name of N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline (CID 57208848) is N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline.
What is the SMILES notation for N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline?
The canonical SMILES for N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline is CO[Si](CCCCN(CCCCN=[N+]=[N-])c1ccccc1)(OC)OC.
What is the InChIKey of N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline?
The InChIKey is BGLPXTXVBZXUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3Si/c1-22-25(23-2,24-3)16-10-9-15-21(14-8-7-13-19-20-18)17-11-5-4-6-12-17/h4-6,11-12H,7-10,13-16H2,1-3H3.
What are the key properties of N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline?
N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline has a molecular weight of 366.54 g/mol, XLogP of 4.24, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline is sourced from PubChem (CID 57208848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).