(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine

C7H13N3 — CID 129194053

IUPAC(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
SMILESC=N/C=C(N)\C(C)=C/CN
InChIInChI=1S/C7H13N3/c1-6(3-4-8)7(9)5-10-2/h3,5H,2,4,8-9H2,1H3/b6-3-,7-5+
InChIKeyIPSGJNHDIKZIMO-DSTIGYBWSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds3

About (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine

(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine (PubChem CID 129194053) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
PubChem CID129194053
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
SMILESC=N/C=C(N)\C(C)=C/CN
InChIInChI=1S/C7H13N3/c1-6(3-4-8)7(9)5-10-2/h3,5H,2,4,8-9H2,1H3/b6-3-,7-5+
InChIKeyIPSGJNHDIKZIMO-DSTIGYBWSA-N
XLogP0.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
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'}

Analyze (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-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 (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine?
The IUPAC name of (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine (CID 129194053) is (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine.
What is the SMILES notation for (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine?
The canonical SMILES for (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine is C=N/C=C(N)\C(C)=C/CN.
What is the InChIKey of (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine?
The InChIKey is IPSGJNHDIKZIMO-DSTIGYBWSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(3-4-8)7(9)5-10-2/h3,5H,2,4,8-9H2,1H3/b6-3-,7-5+.
What are the key properties of (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine?
(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine is sourced from PubChem (CID 129194053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).