2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium

C17H31N2O3Si+ — CID 101069366

IUPAC2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
SMILESC=Cc1ccc(CNCC[NH2+]CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C17H30N2O3Si/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4/h5,7-10,18-19H,1,6,11-15H2,2-4H3/p+1
InChIKeyZVVYXQFZOLGBKC-UHFFFAOYSA-O
MW339.53 g/mol
LogP1.25
Rot. Bonds13

About 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium

2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium (PubChem CID 101069366) has the molecular formula C17H31N2O3Si+ and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
PubChem CID101069366
Molecular FormulaC17H31N2O3Si+
Molecular Weight339.53 g/mol
Exact Mass339.21
IUPAC Name2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
SMILESC=Cc1ccc(CNCC[NH2+]CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C17H30N2O3Si/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4/h5,7-10,18-19H,1,6,11-15H2,2-4H3/p+1
InChIKeyZVVYXQFZOLGBKC-UHFFFAOYSA-O
XLogP1.25
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
CID 155679789
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
CID 90317414
(4-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075115
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
CID 54124529
4-(4-ethenylphenyl)butyl-methoxy-dimethylsilane
CID 139921336
N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene
CID 157330068
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium (CID 101069366) is 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium is C=Cc1ccc(CNCC[NH2+]CCC[Si](OC)(OC)OC)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium?
The InChIKey is ZVVYXQFZOLGBKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30N2O3Si/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4/h5,7-10,18-19H,1,6,11-15H2,2-4H3/p+1.
What are the key properties of 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium?
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium has a molecular weight of 339.53 g/mol, XLogP of 1.25, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 101069366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).