3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine

C13H32N2O5Si — CID 151310338

IUPAC3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine
SMILESCCOC(OCC)(OCC)O[Si@@](CCN)(CCCN)OC
InChIInChI=1S/C13H32N2O5Si/c1-5-17-13(18-6-2,19-7-3)20-21(16-4,12-10-15)11-8-9-14/h5-12,14-15H2,1-4H3/t21-/m1/s1
InChIKeyOEHPGDCQKGYZQG-OAQYLSRUSA-N
MW324.49 g/mol
LogP1.12
Rot. Bonds14

About 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine

3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine (PubChem CID 151310338) has the molecular formula C13H32N2O5Si and a molecular weight of 324.49 g/mol. Its IUPAC name is 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine
PubChem CID151310338
Molecular FormulaC13H32N2O5Si
Molecular Weight324.49 g/mol
Exact Mass324.21
IUPAC Name3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine
SMILESCCOC(OCC)(OCC)O[Si@@](CCN)(CCCN)OC
InChIInChI=1S/C13H32N2O5Si/c1-5-17-13(18-6-2,19-7-3)20-21(16-4,12-10-15)11-8-9-14/h5-12,14-15H2,1-4H3/t21-/m1/s1
InChIKeyOEHPGDCQKGYZQG-OAQYLSRUSA-N
XLogP1.12
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine 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

(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
CID 174781513
11-[ethyl(dimethoxy)silyl]undecan-1-amine
CID 88501782
4-[butyl(dimethoxy)silyl]butan-1-amine
CID 88813037
3-[diethoxy(methyl)silyl]propan-1-amine;tetramethyl silicate
CID 160657571
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
3-[methoxy(dimethyl)silyl]propan-1-amine
CID 2733753
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
butyl-(2,2-dimethylpropyl)-ethoxy-methoxysilane
CID 141442950

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine?
The IUPAC name of 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine (CID 151310338) is 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine is CCOC(OCC)(OCC)O[Si@@](CCN)(CCCN)OC.
What is the InChIKey of 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine?
The InChIKey is OEHPGDCQKGYZQG-OAQYLSRUSA-N. The full InChI is InChI=1S/C13H32N2O5Si/c1-5-17-13(18-6-2,19-7-3)20-21(16-4,12-10-15)11-8-9-14/h5-12,14-15H2,1-4H3/t21-/m1/s1.
What are the key properties of 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine?
3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine has a molecular weight of 324.49 g/mol, XLogP of 1.12, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl-methoxy-(triethoxymethoxy)silyl]propan-1-amine is sourced from PubChem (CID 151310338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).