2-[(2,6-dimethylphenyl)methylideneamino]guanidine

C10H14N4 — CID 72725816

IUPAC2-[(2,6-dimethylphenyl)methylideneamino]guanidine
SMILESCc1cccc(C)c1C=NN=C(N)N
InChIInChI=1S/C10H14N4/c1-7-4-3-5-8(2)9(7)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)
InChIKeyWIPHQWUEUPJSRH-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.91
Rot. Bonds2

About 2-[(2,6-dimethylphenyl)methylideneamino]guanidine

2-[(2,6-dimethylphenyl)methylideneamino]guanidine (PubChem CID 72725816) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylideneamino]guanidine
PubChem CID72725816
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[(2,6-dimethylphenyl)methylideneamino]guanidine
SMILESCc1cccc(C)c1C=NN=C(N)N
InChIInChI=1S/C10H14N4/c1-7-4-3-5-8(2)9(7)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)
InChIKeyWIPHQWUEUPJSRH-UHFFFAOYSA-N
XLogP0.91
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.91
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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Related Compounds

acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
CID 146217414
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
2-[(E)-(2-fluoro-6-methylphenyl)methylideneamino]-1-propoxyguanidine
CID 172981677
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
CID 71670100
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
CID 168590536
2-[(2,6-dimethylphenyl)methylideneamino]ethanol
CID 141084157

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylideneamino]guanidine (CID 72725816) is 2-[(2,6-dimethylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylideneamino]guanidine is Cc1cccc(C)c1C=NN=C(N)N.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylideneamino]guanidine?
The InChIKey is WIPHQWUEUPJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-4-3-5-8(2)9(7)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14).
What are the key properties of 2-[(2,6-dimethylphenyl)methylideneamino]guanidine?
2-[(2,6-dimethylphenyl)methylideneamino]guanidine has a molecular weight of 190.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 72725816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).