(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide

C9H15N3 — CID 126510332

IUPAC(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide
SMILESC=C/C=C(NC)\C(=N\C)NC=C
InChIInChI=1S/C9H15N3/c1-5-7-8(10-3)9(11-4)12-6-2/h5-7,10H,1-2H2,3-4H3,(H,11,12)/b8-7+
InChIKeyZJSUTDNJMXDOQX-BQYQJAHWSA-N
MW165.24 g/mol
LogP1.04
Rot. Bonds4

About (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide

(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide (PubChem CID 126510332) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide
PubChem CID126510332
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide
SMILESC=C/C=C(NC)\C(=N\C)NC=C
InChIInChI=1S/C9H15N3/c1-5-7-8(10-3)9(11-4)12-6-2/h5-7,10H,1-2H2,3-4H3,(H,11,12)/b8-7+
InChIKeyZJSUTDNJMXDOQX-BQYQJAHWSA-N
XLogP1.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide 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-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide?
The IUPAC name of (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide (CID 126510332) is (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide?
The canonical SMILES for (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide is C=C/C=C(NC)\C(=N\C)NC=C.
What is the InChIKey of (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide?
The InChIKey is ZJSUTDNJMXDOQX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-7-8(10-3)9(11-4)12-6-2/h5-7,10H,1-2H2,3-4H3,(H,11,12)/b8-7+.
What are the key properties of (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide?
(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide is sourced from PubChem (CID 126510332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).