N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride

C17H31ClN2O3Si — CID 174598826

IUPACN'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride
SMILESC=Cc1ccc(CN(CCN)C([SiH3])(OC)C(C)(OC)OC)cc1.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-6-14-7-9-15(10-8-14)13-19(12-11-18)17(23,22-5)16(2,20-3)21-4;/h6-10H,1,11-13,18H2,2-5,23H3;1H
InChIKeyFSDSQKNIOMCKTK-UHFFFAOYSA-N
MW374.99 g/mol
LogP1.19
Rot. Bonds10

About N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride

N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride (PubChem CID 174598826) has the molecular formula C17H31ClN2O3Si and a molecular weight of 374.99 g/mol. Its IUPAC name is N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride
PubChem CID174598826
Molecular FormulaC17H31ClN2O3Si
Molecular Weight374.99 g/mol
Exact Mass374.18
IUPAC NameN'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride
SMILESC=Cc1ccc(CN(CCN)C([SiH3])(OC)C(C)(OC)OC)cc1.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-6-14-7-9-15(10-8-14)13-19(12-11-18)17(23,22-5)16(2,20-3)21-4;/h6-10H,1,11-13,18H2,2-5,23H3;1H
InChIKeyFSDSQKNIOMCKTK-UHFFFAOYSA-N
XLogP1.19
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.99
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride 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

N,N-bis[tert-butyl(dimethyl)silyl]-1-(4-ethenylphenyl)methanamine
CID 66742780
2-amino-2-methylpropane-1,3-diol;2-[bis[(4-ethenylphenyl)methyl]amino]-2-methylpropane-1,3-diol;1-(chloromethyl)-4-ethenylbenzene
CID 160758436
N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
CID 144849725
N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 68611089
1-(1,1-dimethoxyethyl)-4-ethenylbenzene
CID 174389278
2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 130979555
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
1-[(4-ethenylphenyl)methyl]-1-methylurea
CID 91376596
4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
CID 66815318
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride (CID 174598826) is N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride is C=Cc1ccc(CN(CCN)C([SiH3])(OC)C(C)(OC)OC)cc1.Cl.
What is the InChIKey of N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is FSDSQKNIOMCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si.ClH/c1-6-14-7-9-15(10-8-14)13-19(12-11-18)17(23,22-5)16(2,20-3)21-4;/h6-10H,1,11-13,18H2,2-5,23H3;1H.
What are the key properties of N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride?
N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 374.99 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethenylphenyl)methyl]-N'-(1,2,2-trimethoxy-1-silylpropyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 174598826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).