2-[(Z)-(4-methylphenyl)methylideneamino]guanidine

C9H12N4 — CID 5356768

IUPAC2-[(Z)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(/C=N\N=C(N)N)cc1
InChIInChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6-
InChIKeyAPQYJFMBVORRMT-SDQBBNPISA-N
MW176.22 g/mol
LogP0.60
Rot. Bonds2

About 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine

2-[(Z)-(4-methylphenyl)methylideneamino]guanidine (PubChem CID 5356768) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(4-methylphenyl)methylideneamino]guanidine
PubChem CID5356768
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-[(Z)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(/C=N\N=C(N)N)cc1
InChIInChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6-
InChIKeyAPQYJFMBVORRMT-SDQBBNPISA-N
XLogP0.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.60
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-[(Z)-(4-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine (CID 5356768) is 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine is Cc1ccc(/C=N\N=C(N)N)cc1.
What is the InChIKey of 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine?
The InChIKey is APQYJFMBVORRMT-SDQBBNPISA-N. The full InChI is InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6-.
What are the key properties of 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine?
2-[(Z)-(4-methylphenyl)methylideneamino]guanidine has a molecular weight of 176.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 5356768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).