4-trimethoxysilylhexane-1,4-diamine

C9H24N2O3Si — CID 57134999

IUPAC4-trimethoxysilylhexane-1,4-diamine
SMILESCCC(N)(CCCN)[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-9(11,7-6-8-10)15(12-2,13-3)14-4/h5-8,10-11H2,1-4H3
InChIKeyTXCADSWKSPNZKB-UHFFFAOYSA-N
MW236.39 g/mol
LogP0.25
Rot. Bonds8

About 4-trimethoxysilylhexane-1,4-diamine

4-trimethoxysilylhexane-1,4-diamine (PubChem CID 57134999) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 4-trimethoxysilylhexane-1,4-diamine.

Molecular Properties

Compound Name4-trimethoxysilylhexane-1,4-diamine
PubChem CID57134999
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name4-trimethoxysilylhexane-1,4-diamine
SMILESCCC(N)(CCCN)[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-9(11,7-6-8-10)15(12-2,13-3)14-4/h5-8,10-11H2,1-4H3
InChIKeyTXCADSWKSPNZKB-UHFFFAOYSA-N
XLogP0.25
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-trimethoxysilylhexane-1,4-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

4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760
4-triethoxysilylheptane-1,4-diamine
CID 91551145
3-trimethoxysilylheptane-3-thiol
CID 175119323
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
3-[dimethoxy(methyl)silyl]-3-ethylpentan-1-amine
CID 54410640
2-amino-2-trimethoxysilylbutanoic acid
CID 150282177
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
3-ethyl-1-trimethoxysilylpentan-3-amine
CID 21018739
4-chloro-4-ethylhexan-1-amine
CID 54264302
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
1-trimethoxysilylpropane-1,1-dithiol
CID 19012739
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylhexane-1,4-diamine?
The IUPAC name of 4-trimethoxysilylhexane-1,4-diamine (CID 57134999) is 4-trimethoxysilylhexane-1,4-diamine.
What is the SMILES notation for 4-trimethoxysilylhexane-1,4-diamine?
The canonical SMILES for 4-trimethoxysilylhexane-1,4-diamine is CCC(N)(CCCN)[Si](OC)(OC)OC.
What is the InChIKey of 4-trimethoxysilylhexane-1,4-diamine?
The InChIKey is TXCADSWKSPNZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-5-9(11,7-6-8-10)15(12-2,13-3)14-4/h5-8,10-11H2,1-4H3.
What are the key properties of 4-trimethoxysilylhexane-1,4-diamine?
4-trimethoxysilylhexane-1,4-diamine has a molecular weight of 236.39 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylhexane-1,4-diamine is sourced from PubChem (CID 57134999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).