3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine

C41H97N3O17Si3 — CID 157496346

IUPAC3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine
SMILESCCCCNCCC[Si](OC)(OC)OC.CCO[Si](CCCN)(OCC)OC(C)(CCO)CCO.COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C18H41NO9Si.C13H31NO5Si.C10H25NO3Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3;1-4-17-20(18-5-2,12-6-9-14)19-13(3,7-10-15)8-11-16;1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h4-19H2,1-3H3;15-16H,4-12,14H2,1-3H3;11H,5-10H2,1-4H3
InChIKeyBXWLCTVTFSWGQZ-UHFFFAOYSA-N
MW988.49 g/mol
LogP2.84
Rot. Bonds47

About 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine

3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine (PubChem CID 157496346) has the molecular formula C41H97N3O17Si3 and a molecular weight of 988.49 g/mol. Its IUPAC name is 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine
PubChem CID157496346
Molecular FormulaC41H97N3O17Si3
Molecular Weight988.49 g/mol
Exact Mass987.61
IUPAC Name3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine
SMILESCCCCNCCC[Si](OC)(OC)OC.CCO[Si](CCCN)(OCC)OC(C)(CCO)CCO.COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC
InChIInChI=1S/C18H41NO9Si.C13H31NO5Si.C10H25NO3Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3;1-4-17-20(18-5-2,12-6-9-14)19-13(3,7-10-15)8-11-16;1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h4-19H2,1-3H3;15-16H,4-12,14H2,1-3H3;11H,5-10H2,1-4H3
InChIKeyBXWLCTVTFSWGQZ-UHFFFAOYSA-N
XLogP2.84
TPSA242.98 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds47
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.49
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]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

N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide
CID 160531535
N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
CID 157071807
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
4-[(4-amino-3,3-dimethylbutyl)-diethoxysilyl]oxy-4-methylheptane-1,7-diol
CID 87195185
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine?
The IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine (CID 157496346) is 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine.
What is the SMILES notation for 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine?
The canonical SMILES for 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine is CCCCNCCC[Si](OC)(OC)OC.CCO[Si](CCCN)(OCC)OC(C)(CCO)CCO.COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC.
What is the InChIKey of 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine?
The InChIKey is BXWLCTVTFSWGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO9Si.C13H31NO5Si.C10H25NO3Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3;1-4-17-20(18-5-2,12-6-9-14)19-13(3,7-10-15)8-11-16;1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h4-19H2,1-3H3;15-16H,4-12,14H2,1-3H3;11H,5-10H2,1-4H3.
What are the key properties of 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine?
3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine has a molecular weight of 988.49 g/mol, XLogP of 2.84, 47 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine is sourced from PubChem (CID 157496346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).