N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine

C11H25NO2 — CID 62336857

IUPACN-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
SMILESCCNCCOCCOCCC(C)C
InChIInChI=1S/C11H25NO2/c1-4-12-6-8-14-10-9-13-7-5-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyXEKHKPIZYHAQQE-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.68
Rot. Bonds10

About N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine

N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine (PubChem CID 62336857) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
PubChem CID62336857
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
SMILESCCNCCOCCOCCC(C)C
InChIInChI=1S/C11H25NO2/c1-4-12-6-8-14-10-9-13-7-5-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyXEKHKPIZYHAQQE-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[2-(3-methylbutoxy)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 N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine (CID 62336857) is N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine is CCNCCOCCOCCC(C)C.
What is the InChIKey of N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine?
The InChIKey is XEKHKPIZYHAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-12-6-8-14-10-9-13-7-5-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine?
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine has a molecular weight of 203.33 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine is sourced from PubChem (CID 62336857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).