1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride

C9H14ClN5 — CID 2730223

IUPAC1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride
SMILESCc1ccccc1/N=C(\N)N=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
LogP0.64
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride (PubChem CID 2730223) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride
PubChem CID2730223
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride
SMILESCc1ccccc1/N=C(\N)N=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
XLogP0.64
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.64
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'}

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Related Compounds

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o-Tolylbiguanide
CID 7155
2-Propylaniline
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1-Phenylbiguanide monohydrochloride
CID 5932
2-Tolyl isocyanate
CID 69194
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
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N-Phenylbenzamidine
CID 200127
2-Isopropenylaniline
CID 96494

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride (CID 2730223) is 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride is Cc1ccccc1/N=C(\N)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride?
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 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 2730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).