N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine

C14H23NO3Si — CID 155679789

IUPACN-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
SMILESC=CCO[Si](CCNCc1ccccc1)(OC)OC
InChIInChI=1S/C14H23NO3Si/c1-4-11-18-19(16-2,17-3)12-10-15-13-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3
InChIKeyJZOGDCKQQLSAMD-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.21
Rot. Bonds10

About N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine

N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine (PubChem CID 155679789) has the molecular formula C14H23NO3Si and a molecular weight of 281.43 g/mol. Its IUPAC name is N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
PubChem CID155679789
Molecular FormulaC14H23NO3Si
Molecular Weight281.43 g/mol
Exact Mass281.14
IUPAC NameN-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
SMILESC=CCO[Si](CCNCc1ccccc1)(OC)OC
InChIInChI=1S/C14H23NO3Si/c1-4-11-18-19(16-2,17-3)12-10-15-13-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3
InChIKeyJZOGDCKQQLSAMD-UHFFFAOYSA-N
XLogP2.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769
N-benzyl-N'-trimethoxysilylethane-1,2-diamine
CID 174059025
N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
CID 173093441
N-(2-trimethoxysilylethyl)prop-2-en-1-amine
CID 87211217
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine?
The IUPAC name of N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine (CID 155679789) is N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine.
What is the SMILES notation for N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine?
The canonical SMILES for N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine is C=CCO[Si](CCNCc1ccccc1)(OC)OC.
What is the InChIKey of N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine?
The InChIKey is JZOGDCKQQLSAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3Si/c1-4-11-18-19(16-2,17-3)12-10-15-13-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3.
What are the key properties of N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine?
N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine has a molecular weight of 281.43 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine is sourced from PubChem (CID 155679789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).