(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine

C11H19N3 — CID 155108552

IUPAC(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-11(10-12-2)14-8-6-13(3)7-9-14/h4-5,10H,1,6-9H2,2-3H3/b11-5+,12-10+
InChIKeyOJELQMVIRUVBLU-IFVHRZQPSA-N
MW193.29 g/mol
LogP1.00
Rot. Bonds3

About (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine

(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine (PubChem CID 155108552) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
PubChem CID155108552
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-5-11(10-12-2)14-8-6-13(3)7-9-14/h4-5,10H,1,6-9H2,2-3H3/b11-5+,12-10+
InChIKeyOJELQMVIRUVBLU-IFVHRZQPSA-N
XLogP1.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine 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 (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine (CID 155108552) is (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine is C=C/C=C(\C=N\C)N1CCN(C)CC1.
What is the InChIKey of (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
The InChIKey is OJELQMVIRUVBLU-IFVHRZQPSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-11(10-12-2)14-8-6-13(3)7-9-14/h4-5,10H,1,6-9H2,2-3H3/b11-5+,12-10+.
What are the key properties of (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine?
(2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 155108552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).