N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine

C18H32N2O3Si — CID 151323239

IUPACN'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESC=Cc1ccc(CCNCCNCCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C18H32N2O3Si/c1-5-17-7-9-18(10-8-17)11-13-20-15-14-19-12-6-16-24(21-2,22-3)23-4/h5,7-10,19-20H,1,6,11-16H2,2-4H3
InChIKeyOGXDIDGQRMMLDY-UHFFFAOYSA-N
MW352.55 g/mol
LogP2.32
Rot. Bonds14

About N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine

N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 151323239) has the molecular formula C18H32N2O3Si and a molecular weight of 352.55 g/mol. Its IUPAC name is N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID151323239
Molecular FormulaC18H32N2O3Si
Molecular Weight352.55 g/mol
Exact Mass352.22
IUPAC NameN'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESC=Cc1ccc(CCNCCNCCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C18H32N2O3Si/c1-5-17-7-9-18(10-8-17)11-13-20-15-14-19-12-6-16-24(21-2,22-3)23-4/h5,7-10,19-20H,1,6,11-16H2,2-4H3
InChIKeyOGXDIDGQRMMLDY-UHFFFAOYSA-N
XLogP2.32
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 52.32
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'}

Analyze N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
4-(4-ethenylphenyl)butyl-methoxy-dimethylsilane
CID 139921336
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
CID 70548327
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
(4-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075115
2-(4-ethenylphenyl)ethoxy-methoxy-dipropylsilane
CID 140668143
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine (CID 151323239) is N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine is C=Cc1ccc(CCNCCNCCC[Si](OC)(OC)OC)cc1.
What is the InChIKey of N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is OGXDIDGQRMMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3Si/c1-5-17-7-9-18(10-8-17)11-13-20-15-14-19-12-6-16-24(21-2,22-3)23-4/h5,7-10,19-20H,1,6,11-16H2,2-4H3.
What are the key properties of N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 352.55 g/mol, XLogP of 2.32, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 151323239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).