1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine

C10H15N3 — CID 126687470

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
SMILESC=C/C=C\C=C(/C)N1CCN=C1N
InChIInChI=1S/C10H15N3/c1-3-4-5-6-9(2)13-8-7-12-10(13)11/h3-6H,1,7-8H2,2H3,(H2,11,12)/b5-4-,9-6+
InChIKeyFLTZYFOGCXAPRW-KMOPYBJPSA-N
MW177.25 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine (PubChem CID 126687470) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
PubChem CID126687470
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
SMILESC=C/C=C\C=C(/C)N1CCN=C1N
InChIInChI=1S/C10H15N3/c1-3-4-5-6-9(2)13-8-7-12-10(13)11/h3-6H,1,7-8H2,2H3,(H2,11,12)/b5-4-,9-6+
InChIKeyFLTZYFOGCXAPRW-KMOPYBJPSA-N
XLogP1.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine 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 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine (CID 126687470) is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine is C=C/C=C\C=C(/C)N1CCN=C1N.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FLTZYFOGCXAPRW-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-6-9(2)13-8-7-12-10(13)11/h3-6H,1,7-8H2,2H3,(H2,11,12)/b5-4-,9-6+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine?
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 126687470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).