(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide

C9H16N4 — CID 89129521

IUPAC(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
SMILESC=C/C(=C\C=C\C)C/C(=N/N)NN
InChIInChI=1S/C9H16N4/c1-3-5-6-8(4-2)7-9(12-10)13-11/h3-6H,2,7,10-11H2,1H3,(H,12,13)/b5-3+,8-6+
InChIKeyYWUARVXUPSINPF-QFXXITGJSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds4

About (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide

(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide (PubChem CID 89129521) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
PubChem CID89129521
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
SMILESC=C/C(=C\C=C\C)C/C(=N/N)NN
InChIInChI=1S/C9H16N4/c1-3-5-6-8(4-2)7-9(12-10)13-11/h3-6H,2,7,10-11H2,1H3,(H,12,13)/b5-3+,8-6+
InChIKeyYWUARVXUPSINPF-QFXXITGJSA-N
XLogP0.80
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-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 (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide?
The IUPAC name of (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide (CID 89129521) is (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide.
What is the SMILES notation for (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide?
The canonical SMILES for (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide is C=C/C(=C\C=C\C)C/C(=N/N)NN.
What is the InChIKey of (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide?
The InChIKey is YWUARVXUPSINPF-QFXXITGJSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-5-6-8(4-2)7-9(12-10)13-11/h3-6H,2,7,10-11H2,1H3,(H,12,13)/b5-3+,8-6+.
What are the key properties of (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide?
(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide is sourced from PubChem (CID 89129521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).