N-benzyl-4-diethoxysilylbutan-1-amine

C15H27NO2Si — CID 173337642

IUPACN-benzyl-4-diethoxysilylbutan-1-amine
SMILESCCO[SiH](CCCCNCc1ccccc1)OCC
InChIInChI=1S/C15H27NO2Si/c1-3-17-19(18-4-2)13-9-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16,19H,3-4,8-9,12-14H2,1-2H3
InChIKeyADXWGSCGGCEIJM-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.85
Rot. Bonds11

About N-benzyl-4-diethoxysilylbutan-1-amine

N-benzyl-4-diethoxysilylbutan-1-amine (PubChem CID 173337642) has the molecular formula C15H27NO2Si and a molecular weight of 281.47 g/mol. Its IUPAC name is N-benzyl-4-diethoxysilylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-diethoxysilylbutan-1-amine
PubChem CID173337642
Molecular FormulaC15H27NO2Si
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-benzyl-4-diethoxysilylbutan-1-amine
SMILESCCO[SiH](CCCCNCc1ccccc1)OCC
InChIInChI=1S/C15H27NO2Si/c1-3-17-19(18-4-2)13-9-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16,19H,3-4,8-9,12-14H2,1-2H3
InChIKeyADXWGSCGGCEIJM-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-dipropoxysilylpropan-1-amine
CID 123489020
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
azane;N-benzylbutan-1-amine
CID 175388745
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-benzylheptane-1,7-diamine
CID 61150072
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-diethoxysilylbutan-1-amine?
The IUPAC name of N-benzyl-4-diethoxysilylbutan-1-amine (CID 173337642) is N-benzyl-4-diethoxysilylbutan-1-amine.
What is the SMILES notation for N-benzyl-4-diethoxysilylbutan-1-amine?
The canonical SMILES for N-benzyl-4-diethoxysilylbutan-1-amine is CCO[SiH](CCCCNCc1ccccc1)OCC.
What is the InChIKey of N-benzyl-4-diethoxysilylbutan-1-amine?
The InChIKey is ADXWGSCGGCEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2Si/c1-3-17-19(18-4-2)13-9-8-12-16-14-15-10-6-5-7-11-15/h5-7,10-11,16,19H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of N-benzyl-4-diethoxysilylbutan-1-amine?
N-benzyl-4-diethoxysilylbutan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-diethoxysilylbutan-1-amine is sourced from PubChem (CID 173337642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).