acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine

C17H40N2O9Si — CID 173156526

IUPACacetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCO[Si](OCC)(OCC)C(CC)NCCN
InChIInChI=1S/C11H28N2O3Si.3C2H4O2/c1-5-11(13-10-9-12)17(14-6-2,15-7-3)16-8-4;3*1-2(3)4/h11,13H,5-10,12H2,1-4H3;3*1H3,(H,3,4)
InChIKeyNZZSZMNYNAYLIB-UHFFFAOYSA-N
MW444.60 g/mol
LogP1.17
Rot. Bonds11

About acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine

acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 173156526) has the molecular formula C17H40N2O9Si and a molecular weight of 444.60 g/mol. Its IUPAC name is acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID173156526
Molecular FormulaC17H40N2O9Si
Molecular Weight444.60 g/mol
Exact Mass444.25
IUPAC Nameacetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCO[Si](OCC)(OCC)C(CC)NCCN
InChIInChI=1S/C11H28N2O3Si.3C2H4O2/c1-5-11(13-10-9-12)17(14-6-2,15-7-3)16-8-4;3*1-2(3)4/h11,13H,5-10,12H2,1-4H3;3*1H3,(H,3,4)
InChIKeyNZZSZMNYNAYLIB-UHFFFAOYSA-N
XLogP1.17
TPSA177.64 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-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

N-propyl-1-triethoxysilylpropan-1-amine
CID 87094166
2-chloro-N-(1-triethoxysilylpropyl)acetamide
CID 18353899
N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
CID 22359732
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
acetic acid;N'-(1-methoxyethyl)ethane-1,2-diamine
CID 174560246
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
2-(2-aminoethylamino)butanamide
CID 62900229
3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
CID 23169573
ethyl 2-(propylamino)butanoate
CID 60795885
CID 160895097
CID 160895097
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine (CID 173156526) is acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CCO[Si](OCC)(OCC)C(CC)NCCN.
What is the InChIKey of acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is NZZSZMNYNAYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si.3C2H4O2/c1-5-11(13-10-9-12)17(14-6-2,15-7-3)16-8-4;3*1-2(3)4/h11,13H,5-10,12H2,1-4H3;3*1H3,(H,3,4).
What are the key properties of acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine?
acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 444.60 g/mol, XLogP of 1.17, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 173156526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).