(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine

C12H19N5 — CID 88753489

IUPAC(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)16-12(14)17-11(13)15-4/h5-6H,1-4H3,(H5,13,14,15,16,17)
InChIKeyAPXHQBNWWDZFDU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds1

About (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine

(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine (PubChem CID 88753489) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
PubChem CID88753489
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)16-12(14)17-11(13)15-4/h5-6H,1-4H3,(H5,13,14,15,16,17)
InChIKeyAPXHQBNWWDZFDU-UHFFFAOYSA-N
XLogP1.28
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(N'-methylcarbamimidoyl)-3-(2,4,6-trimethylphenyl)urea;hydrochloride
CID 3049564
(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine
CID 88755153
(2,4,6-trimethylphenyl)thiourea
CID 2731118
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
CID 88752390
1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
CID 54537324
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
3,6-dichloro-N-(2,4,6-trimethylphenyl)pyridazine-4-carboxamide
CID 103606412

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine?
The IUPAC name of (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine (CID 88753489) is (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine.
What is the SMILES notation for (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine?
The canonical SMILES for (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine is C/N=C(N)/N=C(\N)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine?
The InChIKey is APXHQBNWWDZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)16-12(14)17-11(13)15-4/h5-6H,1-4H3,(H5,13,14,15,16,17).
What are the key properties of (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine?
(1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2,4,6-trimethylanilino)methylidene]-2-methylguanidine is sourced from PubChem (CID 88753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).