2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine

C9H21N3O — CID 39237981

IUPAC2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine
SMILESCN1CCN(CCOCCN)CC1
InChIInChI=1S/C9H21N3O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-10H2,1H3
InChIKeyGGEXMRSHECRBJZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.79
Rot. Bonds5

About 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine

2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine (PubChem CID 39237981) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine
PubChem CID39237981
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine
SMILESCN1CCN(CCOCCN)CC1
InChIInChI=1S/C9H21N3O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-10H2,1H3
InChIKeyGGEXMRSHECRBJZ-UHFFFAOYSA-N
XLogP-0.79
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine (CID 39237981) is 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine is CN1CCN(CCOCCN)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine?
The InChIKey is GGEXMRSHECRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-10H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine?
2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine has a molecular weight of 187.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 39237981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).