diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride

C9H14ClN5 — CID 135624056

IUPACdiaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride
SMILESCc1ccccc1/N=C(\N)[NH+]=C(N)N.[Cl-]
InChIInChI=1S/C9H13N5.ClH/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H
InChIKeyFILKMYZBTLMWDT-UHFFFAOYSA-N
MW227.70 g/mol
LogP-4.70
Rot. Bonds1

About diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride

diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride (PubChem CID 135624056) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride.

Molecular Properties

Compound Namediaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride
PubChem CID135624056
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Namediaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride
SMILESCc1ccccc1/N=C(\N)[NH+]=C(N)N.[Cl-]
InChIInChI=1S/C9H13N5.ClH/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H
InChIKeyFILKMYZBTLMWDT-UHFFFAOYSA-N
XLogP-4.70
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 5-4.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride 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 diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride?
The IUPAC name of diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride (CID 135624056) is diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride.
What is the SMILES notation for diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride?
The canonical SMILES for diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride is Cc1ccccc1/N=C(\N)[NH+]=C(N)N.[Cl-].
What is the InChIKey of diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride?
The InChIKey is FILKMYZBTLMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5.ClH/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H.
What are the key properties of diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride?
diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride has a molecular weight of 227.70 g/mol, XLogP of -4.70, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[N'-(2-methylphenyl)carbamimidoyl]azanium chloride is sourced from PubChem (CID 135624056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).