2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride

C9H13ClN4 — CID 75296118

IUPAC2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(C=NN=C(N)N)cc1.Cl
InChIInChI=1S/C9H12N4.ClH/c1-7-2-4-8(5-3-7)6-12-13-9(10)11;/h2-6H,1H3,(H4,10,11,13);1H
InChIKeyCDGLYNFLSABGEU-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.02
Rot. Bonds2

About 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride

2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 75296118) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID75296118
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(C=NN=C(N)N)cc1.Cl
InChIInChI=1S/C9H12N4.ClH/c1-7-2-4-8(5-3-7)6-12-13-9(10)11;/h2-6H,1H3,(H4,10,11,13);1H
InChIKeyCDGLYNFLSABGEU-UHFFFAOYSA-N
XLogP1.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.02
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride (CID 75296118) is 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride is Cc1ccc(C=NN=C(N)N)cc1.Cl.
What is the InChIKey of 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is CDGLYNFLSABGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.ClH/c1-7-2-4-8(5-3-7)6-12-13-9(10)11;/h2-6H,1H3,(H4,10,11,13);1H.
What are the key properties of 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride?
2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 75296118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).