N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine

C18H31NO3Si — CID 54124529

IUPACN-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
SMILESC=Cc1cccc(CNCCC[Si](OCC)(OCC)OCC)c1
InChIInChI=1S/C18H31NO3Si/c1-5-17-11-9-12-18(15-17)16-19-13-10-14-23(20-6-2,21-7-3)22-8-4/h5,9,11-12,15,19H,1,6-8,10,13-14,16H2,2-4H3
InChIKeyNQAKNKPETVCPQR-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.86
Rot. Bonds13

About N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine

N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine (PubChem CID 54124529) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
PubChem CID54124529
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC NameN-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
SMILESC=Cc1cccc(CNCCC[Si](OCC)(OCC)OCC)c1
InChIInChI=1S/C18H31NO3Si/c1-5-17-11-9-12-18(15-17)16-19-13-10-14-23(20-6-2,21-7-3)22-8-4/h5,9,11-12,15,19H,1,6-8,10,13-14,16H2,2-4H3
InChIKeyNQAKNKPETVCPQR-UHFFFAOYSA-N
XLogP3.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.86
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'}

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine
CID 19748358
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570
3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
CID 139617910
1,3-bis(ethenyl)benzene;tetraethyl silicate
CID 175524918
(3-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075107
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine?
The IUPAC name of N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine (CID 54124529) is N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine is C=Cc1cccc(CNCCC[Si](OCC)(OCC)OCC)c1.
What is the InChIKey of N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine?
The InChIKey is NQAKNKPETVCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-5-17-11-9-12-18(15-17)16-19-13-10-14-23(20-6-2,21-7-3)22-8-4/h5,9,11-12,15,19H,1,6-8,10,13-14,16H2,2-4H3.
What are the key properties of N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine?
N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine has a molecular weight of 337.54 g/mol, XLogP of 3.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 54124529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).