(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine

C7H11N3 — CID 101185007

IUPAC(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine
SMILES[H]/N=C/C=C(/C=C/N)/C=C/N
InChIInChI=1S/C7H11N3/c8-4-1-7(2-5-9)3-6-10/h1-6,8H,9-10H2/b5-2+,6-3+,8-4+
InChIKeyRQPKTOJNOSYUPS-RNYXWSOMSA-N
MW137.19 g/mol
LogP0.51
Rot. Bonds3

About (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine

(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine (PubChem CID 101185007) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine.

Molecular Properties

Compound Name(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine
PubChem CID101185007
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine
SMILES[H]/N=C/C=C(/C=C/N)/C=C/N
InChIInChI=1S/C7H11N3/c8-4-1-7(2-5-9)3-6-10/h1-6,8H,9-10H2/b5-2+,6-3+,8-4+
InChIKeyRQPKTOJNOSYUPS-RNYXWSOMSA-N
XLogP0.51
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine 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 (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine?
The IUPAC name of (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine (CID 101185007) is (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine.
What is the SMILES notation for (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine?
The canonical SMILES for (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine is [H]/N=C/C=C(/C=C/N)/C=C/N.
What is the InChIKey of (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine?
The InChIKey is RQPKTOJNOSYUPS-RNYXWSOMSA-N. The full InChI is InChI=1S/C7H11N3/c8-4-1-7(2-5-9)3-6-10/h1-6,8H,9-10H2/b5-2+,6-3+,8-4+.
What are the key properties of (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine?
(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine is sourced from PubChem (CID 101185007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).