2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile

C12H22N2O3 — CID 104564908

IUPAC2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COCCOCCOC)C1CC1
InChIInChI=1S/C12H22N2O3/c1-14-12(9-13,11-3-4-11)10-17-8-7-16-6-5-15-2/h11,14H,3-8,10H2,1-2H3
InChIKeyFFTJJUMCHDZWMV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds10

About 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile

2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile (PubChem CID 104564908) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
PubChem CID104564908
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COCCOCCOC)C1CC1
InChIInChI=1S/C12H22N2O3/c1-14-12(9-13,11-3-4-11)10-17-8-7-16-6-5-15-2/h11,14H,3-8,10H2,1-2H3
InChIKeyFFTJJUMCHDZWMV-UHFFFAOYSA-N
XLogP0.56
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile 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 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile (CID 104564908) is 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile is CNC(C#N)(COCCOCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile?
The InChIKey is FFTJJUMCHDZWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14-12(9-13,11-3-4-11)10-17-8-7-16-6-5-15-2/h11,14H,3-8,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile?
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile has a molecular weight of 242.32 g/mol, XLogP of 0.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile is sourced from PubChem (CID 104564908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).