N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline

C15H29NO4Si2 — CID 15031795

IUPACN-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline
SMILESCO[Si](CCCNc1cccc(O[Si](C)(C)C)c1)(OC)OC
InChIInChI=1S/C15H29NO4Si2/c1-17-22(18-2,19-3)12-8-11-16-14-9-7-10-15(13-14)20-21(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3
InChIKeyQRZUQALHDPIJJO-UHFFFAOYSA-N
MW343.57 g/mol
LogP3.58
Rot. Bonds10

About N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline

N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline (PubChem CID 15031795) has the molecular formula C15H29NO4Si2 and a molecular weight of 343.57 g/mol. Its IUPAC name is N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline.

Molecular Properties

Compound NameN-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline
PubChem CID15031795
Molecular FormulaC15H29NO4Si2
Molecular Weight343.57 g/mol
Exact Mass343.16
IUPAC NameN-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline
SMILESCO[Si](CCCNc1cccc(O[Si](C)(C)C)c1)(OC)OC
InChIInChI=1S/C15H29NO4Si2/c1-17-22(18-2,19-3)12-8-11-16-14-9-7-10-15(13-14)20-21(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3
InChIKeyQRZUQALHDPIJJO-UHFFFAOYSA-N
XLogP3.58
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.57
LogP ≤ 53.58
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

CID 165388786
CID 165388786
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-hexyl-3-methoxyaniline
CID 15500485
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
ethane;N-ethyl-3-methoxyaniline
CID 142222302
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166

Frequently Asked Questions

What is the IUPAC name of N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline?
The IUPAC name of N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline (CID 15031795) is N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline.
What is the SMILES notation for N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline?
The canonical SMILES for N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline is CO[Si](CCCNc1cccc(O[Si](C)(C)C)c1)(OC)OC.
What is the InChIKey of N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline?
The InChIKey is QRZUQALHDPIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4Si2/c1-17-22(18-2,19-3)12-8-11-16-14-9-7-10-15(13-14)20-21(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3.
What are the key properties of N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline?
N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline has a molecular weight of 343.57 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline is sourced from PubChem (CID 15031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).