N-benzyl-N'-trimethoxysilylethane-1,2-diamine

C12H22N2O3Si — CID 174059025

IUPACN-benzyl-N'-trimethoxysilylethane-1,2-diamine
SMILESCO[Si](NCCNCc1ccccc1)(OC)OC
InChIInChI=1S/C12H22N2O3Si/c1-15-18(16-2,17-3)14-10-9-13-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyUPDUMUWRNIWWHK-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.74
Rot. Bonds9

About N-benzyl-N'-trimethoxysilylethane-1,2-diamine

N-benzyl-N'-trimethoxysilylethane-1,2-diamine (PubChem CID 174059025) has the molecular formula C12H22N2O3Si and a molecular weight of 270.40 g/mol. Its IUPAC name is N-benzyl-N'-trimethoxysilylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-trimethoxysilylethane-1,2-diamine
PubChem CID174059025
Molecular FormulaC12H22N2O3Si
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-benzyl-N'-trimethoxysilylethane-1,2-diamine
SMILESCO[Si](NCCNCc1ccccc1)(OC)OC
InChIInChI=1S/C12H22N2O3Si/c1-15-18(16-2,17-3)14-10-9-13-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyUPDUMUWRNIWWHK-UHFFFAOYSA-N
XLogP0.74
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
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

N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
CID 155679789
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
azane;N-benzylbutan-1-amine
CID 175388745
N-[tert-butyl(dimethyl)silyl]-1-phenylmethanamine;dimethoxy(dimethyl)silane
CID 174710082

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-trimethoxysilylethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-trimethoxysilylethane-1,2-diamine (CID 174059025) is N-benzyl-N'-trimethoxysilylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-trimethoxysilylethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-trimethoxysilylethane-1,2-diamine is CO[Si](NCCNCc1ccccc1)(OC)OC.
What is the InChIKey of N-benzyl-N'-trimethoxysilylethane-1,2-diamine?
The InChIKey is UPDUMUWRNIWWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3Si/c1-15-18(16-2,17-3)14-10-9-13-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of N-benzyl-N'-trimethoxysilylethane-1,2-diamine?
N-benzyl-N'-trimethoxysilylethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-trimethoxysilylethane-1,2-diamine is sourced from PubChem (CID 174059025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).