1-amino-1,2,3-tris(2-methylphenyl)guanidine

C22H24N4 — CID 67749783

IUPAC1-amino-1,2,3-tris(2-methylphenyl)guanidine
SMILESCc1ccccc1/N=C(\Nc1ccccc1C)N(N)c1ccccc1C
InChIInChI=1S/C22H24N4/c1-16-10-4-7-13-19(16)24-22(25-20-14-8-5-11-17(20)2)26(23)21-15-9-6-12-18(21)3/h4-15H,23H2,1-3H3,(H,24,25)
InChIKeyKPZRNAFWTUTXLD-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.09
Rot. Bonds3

About 1-amino-1,2,3-tris(2-methylphenyl)guanidine

1-amino-1,2,3-tris(2-methylphenyl)guanidine (PubChem CID 67749783) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-amino-1,2,3-tris(2-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-1,2,3-tris(2-methylphenyl)guanidine
PubChem CID67749783
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name1-amino-1,2,3-tris(2-methylphenyl)guanidine
SMILESCc1ccccc1/N=C(\Nc1ccccc1C)N(N)c1ccccc1C
InChIInChI=1S/C22H24N4/c1-16-10-4-7-13-19(16)24-22(25-20-14-8-5-11-17(20)2)26(23)21-15-9-6-12-18(21)3/h4-15H,23H2,1-3H3,(H,24,25)
InChIKeyKPZRNAFWTUTXLD-UHFFFAOYSA-N
XLogP5.09
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-1,2,3-tris(2-methylphenyl)guanidine 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

acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
CID 23578391
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
CID 122216328
N-(2-methylphenyl)-N-[(2-methylphenyl)carbamoyl]acetamide
CID 4278277
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
CID 4779414
1,2-bis(2-methylphenyl)guanidine;N,N-dimethyldodecan-1-amine;guanidine;N-octyloctan-1-amine
CID 160780504
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,2,3-tris(2-methylphenyl)guanidine?
The IUPAC name of 1-amino-1,2,3-tris(2-methylphenyl)guanidine (CID 67749783) is 1-amino-1,2,3-tris(2-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-1,2,3-tris(2-methylphenyl)guanidine?
The canonical SMILES for 1-amino-1,2,3-tris(2-methylphenyl)guanidine is Cc1ccccc1/N=C(\Nc1ccccc1C)N(N)c1ccccc1C.
What is the InChIKey of 1-amino-1,2,3-tris(2-methylphenyl)guanidine?
The InChIKey is KPZRNAFWTUTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-16-10-4-7-13-19(16)24-22(25-20-14-8-5-11-17(20)2)26(23)21-15-9-6-12-18(21)3/h4-15H,23H2,1-3H3,(H,24,25).
What are the key properties of 1-amino-1,2,3-tris(2-methylphenyl)guanidine?
1-amino-1,2,3-tris(2-methylphenyl)guanidine has a molecular weight of 344.46 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,2,3-tris(2-methylphenyl)guanidine is sourced from PubChem (CID 67749783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).