(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine

C6H11N3 — CID 89121289

IUPAC(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine
SMILESC=N/C(C)=C\C(N)=C/N
InChIInChI=1S/C6H11N3/c1-5(9-2)3-6(8)4-7/h3-4H,2,7-8H2,1H3/b5-3-,6-4+
InChIKeyQTZYBACUIWMJPZ-CIIODKQPSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine

(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine (PubChem CID 89121289) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine
PubChem CID89121289
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine
SMILESC=N/C(C)=C\C(N)=C/N
InChIInChI=1S/C6H11N3/c1-5(9-2)3-6(8)4-7/h3-4H,2,7-8H2,1H3/b5-3-,6-4+
InChIKeyQTZYBACUIWMJPZ-CIIODKQPSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine?
The IUPAC name of (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine (CID 89121289) is (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine?
The canonical SMILES for (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine is C=N/C(C)=C\C(N)=C/N.
What is the InChIKey of (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine?
The InChIKey is QTZYBACUIWMJPZ-CIIODKQPSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(9-2)3-6(8)4-7/h3-4H,2,7-8H2,1H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine?
(1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine has a molecular weight of 125.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-(methylideneamino)penta-1,3-diene-1,2-diamine is sourced from PubChem (CID 89121289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).