2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine

C10H13ClN4 — CID 13451350

IUPAC2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN4/c1-15(2)10(12)14-13-7-8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H2,12,14)/b13-7+
InChIKeyOUAHPMWMYFBZQK-NTUHNPAUSA-N
MW224.70 g/mol
LogP1.55
Rot. Bonds2

About 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine

2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine (PubChem CID 13451350) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
PubChem CID13451350
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN4/c1-15(2)10(12)14-13-7-8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H2,12,14)/b13-7+
InChIKeyOUAHPMWMYFBZQK-NTUHNPAUSA-N
XLogP1.55
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
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

CID 172941482
CID 172941482
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
[(E)-(4-chlorophenyl)methylideneamino]-[(E)-N-[(E)-(4-chlorophenyl)methylideneamino]-C-methylsulfanylcarbonimidoyl]azanium iodide
CID 18528903
2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide
CID 173435898
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
2-[3-(4-chlorophenyl)prop-2-enylideneamino]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 57225777
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine?
The IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine (CID 13451350) is 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine?
The canonical SMILES for 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine is CN(C)/C(N)=N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine?
The InChIKey is OUAHPMWMYFBZQK-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-15(2)10(12)14-13-7-8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H2,12,14)/b13-7+.
What are the key properties of 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine?
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine has a molecular weight of 224.70 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine is sourced from PubChem (CID 13451350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).