3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine

C11H28N2O3Si — CID 141368865

IUPAC3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)C(C)N
InChIInChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,9-7-8-12)16-11(4)10(3)13/h10-11H,5-9,12-13H2,1-4H3
InChIKeyGBWMLOHKEWBKLK-UHFFFAOYSA-N
MW264.44 g/mol
LogP1.10
Rot. Bonds10

About 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine

3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine (PubChem CID 141368865) has the molecular formula C11H28N2O3Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine.

Molecular Properties

Compound Name3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
PubChem CID141368865
Molecular FormulaC11H28N2O3Si
Molecular Weight264.44 g/mol
Exact Mass264.19
IUPAC Name3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)C(C)N
InChIInChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,9-7-8-12)16-11(4)10(3)13/h10-11H,5-9,12-13H2,1-4H3
InChIKeyGBWMLOHKEWBKLK-UHFFFAOYSA-N
XLogP1.10
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-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

3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
2-[diethoxy(propyl)silyl]oxypropane-1,1-diamine
CID 175506053
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
3-[diethoxy(propan-2-ylsilyloxy)silyl]propan-1-amine
CID 158752728
3-(1-aminoethoxy-ethoxy-ethylsilyl)propan-1-amine
CID 174975378
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine
CID 174661627
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
3-[1-aminoethoxy(diethoxy)silyl]-N-ethylpropan-1-amine
CID 87523892

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine?
The IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine (CID 141368865) is 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine.
What is the SMILES notation for 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine?
The canonical SMILES for 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine is CCO[Si](CCCN)(OCC)OC(C)C(C)N.
What is the InChIKey of 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine?
The InChIKey is GBWMLOHKEWBKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si/c1-5-14-17(15-6-2,9-7-8-12)16-11(4)10(3)13/h10-11H,5-9,12-13H2,1-4H3.
What are the key properties of 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine?
3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine is sourced from PubChem (CID 141368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).