N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride

C19H37ClN2O3Si — CID 19829630

IUPACN'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
SMILESCO[Si](CCCNCCCCCCNCc1ccccc1)(OC)OC.Cl
InChIInChI=1S/C19H36N2O3Si.ClH/c1-22-25(23-2,24-3)17-11-16-20-14-9-4-5-10-15-21-18-19-12-7-6-8-13-19;/h6-8,12-13,20-21H,4-5,9-11,14-18H2,1-3H3;1H
InChIKeyIEIQBBIQMRDTKF-UHFFFAOYSA-N
MW405.06 g/mol
LogP3.62
Rot. Bonds16

About N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride

N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride (PubChem CID 19829630) has the molecular formula C19H37ClN2O3Si and a molecular weight of 405.06 g/mol. Its IUPAC name is N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
PubChem CID19829630
Molecular FormulaC19H37ClN2O3Si
Molecular Weight405.06 g/mol
Exact Mass404.23
IUPAC NameN'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
SMILESCO[Si](CCCNCCCCCCNCc1ccccc1)(OC)OC.Cl
InChIInChI=1S/C19H36N2O3Si.ClH/c1-22-25(23-2,24-3)17-11-16-20-14-9-4-5-10-15-21-18-19-12-7-6-8-13-19;/h6-8,12-13,20-21H,4-5,9-11,14-18H2,1-3H3;1H
InChIKeyIEIQBBIQMRDTKF-UHFFFAOYSA-N
XLogP3.62
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.06
LogP ≤ 53.62
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'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-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[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
CID 173093441
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
N'-benzyl-N-(2-chloroethyl)hexane-1,6-diamine;dihydrochloride
CID 14086599
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-benzylheptane-1,7-diamine
CID 61150072
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N'-benzyl-N-(3-silylpropyl)tridecane-1,13-diamine
CID 164972132

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride (CID 19829630) is N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride is CO[Si](CCCNCCCCCCNCc1ccccc1)(OC)OC.Cl.
What is the InChIKey of N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride?
The InChIKey is IEIQBBIQMRDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3Si.ClH/c1-22-25(23-2,24-3)17-11-16-20-14-9-4-5-10-15-21-18-19-12-7-6-8-13-19;/h6-8,12-13,20-21H,4-5,9-11,14-18H2,1-3H3;1H.
What are the key properties of N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride?
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride has a molecular weight of 405.06 g/mol, XLogP of 3.62, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride is sourced from PubChem (CID 19829630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).