N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane

C23H42N2O6Si2 — CID 173093441

IUPACN-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
SMILESCNc1ccccc1.CO[SiH](OC)OC.CO[Si](CCCNCc1ccccc1)(OC)OC
InChIInChI=1S/C13H23NO3Si.C7H9N.C3H10O3Si/c1-15-18(16-2,17-3)11-7-10-14-12-13-8-5-4-6-9-13;1-8-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h4-6,8-9,14H,7,10-12H2,1-3H3;2-6,8H,1H3;7H,1-3H3
InChIKeyXZSTURWUAQYCMP-UHFFFAOYSA-N
MW498.77 g/mol
LogP3.42
Rot. Bonds13

About N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane

N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane (PubChem CID 173093441) has the molecular formula C23H42N2O6Si2 and a molecular weight of 498.77 g/mol. Its IUPAC name is N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane.

Molecular Properties

Compound NameN-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
PubChem CID173093441
Molecular FormulaC23H42N2O6Si2
Molecular Weight498.77 g/mol
Exact Mass498.26
IUPAC NameN-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
SMILESCNc1ccccc1.CO[SiH](OC)OC.CO[Si](CCCNCc1ccccc1)(OC)OC
InChIInChI=1S/C13H23NO3Si.C7H9N.C3H10O3Si/c1-15-18(16-2,17-3)11-7-10-14-12-13-8-5-4-6-9-13;1-8-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h4-6,8-9,14H,7,10-12H2,1-3H3;2-6,8H,1H3;7H,1-3H3
InChIKeyXZSTURWUAQYCMP-UHFFFAOYSA-N
XLogP3.42
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.77
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
CID 155679789
CID 165388786
CID 165388786
azane;N-benzylbutan-1-amine
CID 175388745
N-benzyl-3-dipropoxysilylpropan-1-amine
CID 123489020
N-benzyl-N'-trimethoxysilylethane-1,2-diamine
CID 174059025
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769
N-benzyl-4-diethoxysilylbutan-1-amine
CID 173337642

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane?
The IUPAC name of N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane (CID 173093441) is N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane.
What is the SMILES notation for N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane?
The canonical SMILES for N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane is CNc1ccccc1.CO[SiH](OC)OC.CO[Si](CCCNCc1ccccc1)(OC)OC.
What is the InChIKey of N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane?
The InChIKey is XZSTURWUAQYCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si.C7H9N.C3H10O3Si/c1-15-18(16-2,17-3)11-7-10-14-12-13-8-5-4-6-9-13;1-8-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h4-6,8-9,14H,7,10-12H2,1-3H3;2-6,8H,1H3;7H,1-3H3.
What are the key properties of N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane?
N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane has a molecular weight of 498.77 g/mol, XLogP of 3.42, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane is sourced from PubChem (CID 173093441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).