(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide

C15H21N3 — CID 143882547

IUPAC(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C(N)=C/C=C(\C)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21N3/c1-9-7-11(3)14(12(4)8-9)10(2)5-6-13(16)15(17)18/h5-8H,16H2,1-4H3,(H3,17,18)/b10-5+,13-6-
InChIKeyZBLWGPPUJJXJNX-NFDGLWNWSA-N
MW243.35 g/mol
LogP2.79
Rot. Bonds3

About (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide

(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide (PubChem CID 143882547) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
PubChem CID143882547
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C(N)=C/C=C(\C)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21N3/c1-9-7-11(3)14(12(4)8-9)10(2)5-6-13(16)15(17)18/h5-8H,16H2,1-4H3,(H3,17,18)/b10-5+,13-6-
InChIKeyZBLWGPPUJJXJNX-NFDGLWNWSA-N
XLogP2.79
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-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 (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide?
The IUPAC name of (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide (CID 143882547) is (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide.
What is the SMILES notation for (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide?
The canonical SMILES for (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide is [H]/N=C(N)/C(N)=C/C=C(\C)c1c(C)cc(C)cc1C.
What is the InChIKey of (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide?
The InChIKey is ZBLWGPPUJJXJNX-NFDGLWNWSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-7-11(3)14(12(4)8-9)10(2)5-6-13(16)15(17)18/h5-8H,16H2,1-4H3,(H3,17,18)/b10-5+,13-6-.
What are the key properties of (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide?
(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide has a molecular weight of 243.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide is sourced from PubChem (CID 143882547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).