2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine

C11H16N4 — CID 9057981

IUPAC2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
SMILESCc1cc(C)c(/C=N\N=C(N)N)cc1C
InChIInChI=1S/C11H16N4/c1-7-4-9(3)10(5-8(7)2)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-6-
InChIKeyWOEAMPIXTCRVNX-NSIKDUERSA-N
MW204.28 g/mol
LogP1.22
Rot. Bonds2

About 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine

2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine (PubChem CID 9057981) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
PubChem CID9057981
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
SMILESCc1cc(C)c(/C=N\N=C(N)N)cc1C
InChIInChI=1S/C11H16N4/c1-7-4-9(3)10(5-8(7)2)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-6-
InChIKeyWOEAMPIXTCRVNX-NSIKDUERSA-N
XLogP1.22
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.22
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

2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
CID 168590500
2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine
CID 77060306
N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine
CID 72739618
2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
CID 168590536
2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
CID 168592471
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine (CID 9057981) is 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine is Cc1cc(C)c(/C=N\N=C(N)N)cc1C.
What is the InChIKey of 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine?
The InChIKey is WOEAMPIXTCRVNX-NSIKDUERSA-N. The full InChI is InChI=1S/C11H16N4/c1-7-4-9(3)10(5-8(7)2)6-14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-6-.
What are the key properties of 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine?
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 9057981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).