(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal

C7H12N2O — CID 144678659

IUPAC(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal
SMILESCN/C=C\C(=C/C=O)NC
InChIInChI=1S/C7H12N2O/c1-8-5-3-7(9-2)4-6-10/h3-6,8-9H,1-2H3/b5-3-,7-4+
InChIKeyDGKOTFANTYOWHP-XKSOLRDRSA-N
MW140.19 g/mol
LogP0.02
Rot. Bonds4

About (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal

(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal (PubChem CID 144678659) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal
PubChem CID144678659
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal
SMILESCN/C=C\C(=C/C=O)NC
InChIInChI=1S/C7H12N2O/c1-8-5-3-7(9-2)4-6-10/h3-6,8-9H,1-2H3/b5-3-,7-4+
InChIKeyDGKOTFANTYOWHP-XKSOLRDRSA-N
XLogP0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal 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,4Z)-3,5-bis(methylamino)penta-2,4-dienal?
The IUPAC name of (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal (CID 144678659) is (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal.
What is the SMILES notation for (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal?
The canonical SMILES for (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal is CN/C=C\C(=C/C=O)NC.
What is the InChIKey of (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal?
The InChIKey is DGKOTFANTYOWHP-XKSOLRDRSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-5-3-7(9-2)4-6-10/h3-6,8-9H,1-2H3/b5-3-,7-4+.
What are the key properties of (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal?
(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal has a molecular weight of 140.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal is sourced from PubChem (CID 144678659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).