N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine

C20H47NO4Si2 — CID 154406555

IUPACN-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)(C)OCCCC[SiH2]OC)CC(C)(C)OCCCC[SiH2]OC
InChIInChI=1S/C20H47NO4Si2/c1-8-21(17-19(2,3)24-13-9-11-15-26-22-6)18-20(4,5)25-14-10-12-16-27-23-7/h8-18,26-27H2,1-7H3
InChIKeyGPTGNYCNHVSEFG-UHFFFAOYSA-N
MW421.77 g/mol
LogP2.76
Rot. Bonds19

About N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine

N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine (PubChem CID 154406555) has the molecular formula C20H47NO4Si2 and a molecular weight of 421.77 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine
PubChem CID154406555
Molecular FormulaC20H47NO4Si2
Molecular Weight421.77 g/mol
Exact Mass421.30
IUPAC NameN-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)(C)OCCCC[SiH2]OC)CC(C)(C)OCCCC[SiH2]OC
InChIInChI=1S/C20H47NO4Si2/c1-8-21(17-19(2,3)24-13-9-11-15-26-22-6)18-20(4,5)25-14-10-12-16-27-23-7/h8-18,26-27H2,1-7H3
InChIKeyGPTGNYCNHVSEFG-UHFFFAOYSA-N
XLogP2.76
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine (CID 154406555) is N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine is CCN(CC(C)(C)OCCCC[SiH2]OC)CC(C)(C)OCCCC[SiH2]OC.
What is the InChIKey of N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine?
The InChIKey is GPTGNYCNHVSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO4Si2/c1-8-21(17-19(2,3)24-13-9-11-15-26-22-6)18-20(4,5)25-14-10-12-16-27-23-7/h8-18,26-27H2,1-7H3.
What are the key properties of N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine?
N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine has a molecular weight of 421.77 g/mol, XLogP of 2.76, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxysilylbutoxy)-N-[2-(4-methoxysilylbutoxy)-2-methylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 154406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).