2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

C12H25NO4 — CID 154977606

IUPAC2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)COCCOCCOCCOCCN
InChIInChI=1S/C12H25NO4/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13/h1,3-11,13H2,2H3
InChIKeyDCWXCVSAQUAHFR-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.59
Rot. Bonds13

About 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 154977606) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID154977606
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)COCCOCCOCCOCCN
InChIInChI=1S/C12H25NO4/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13/h1,3-11,13H2,2H3
InChIKeyDCWXCVSAQUAHFR-UHFFFAOYSA-N
XLogP0.59
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine 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-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 154977606) is 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is C=C(C)COCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is DCWXCVSAQUAHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13/h1,3-11,13H2,2H3.
What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 247.33 g/mol, XLogP of 0.59, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 154977606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).