2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine

C15H27N3 — CID 67823385

IUPAC2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine
SMILESC=CCC1NCCN(CCN)C1(CC=C)CC=C
InChIInChI=1S/C15H27N3/c1-4-7-14-15(8-5-2,9-6-3)18(12-10-16)13-11-17-14/h4-6,14,17H,1-3,7-13,16H2
InChIKeyCBTUICSMZSXKCH-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.69
Rot. Bonds8

About 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine

2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine (PubChem CID 67823385) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine
PubChem CID67823385
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine
SMILESC=CCC1NCCN(CCN)C1(CC=C)CC=C
InChIInChI=1S/C15H27N3/c1-4-7-14-15(8-5-2,9-6-3)18(12-10-16)13-11-17-14/h4-6,14,17H,1-3,7-13,16H2
InChIKeyCBTUICSMZSXKCH-UHFFFAOYSA-N
XLogP1.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]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-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine (CID 67823385) is 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine is C=CCC1NCCN(CCN)C1(CC=C)CC=C.
What is the InChIKey of 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine?
The InChIKey is CBTUICSMZSXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-14-15(8-5-2,9-6-3)18(12-10-16)13-11-17-14/h4-6,14,17H,1-3,7-13,16H2.
What are the key properties of 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine?
2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3-tris(prop-2-enyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 67823385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).