2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine

C8H8Cl2N4 — CID 5353646

IUPAC2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-
InChIKeyWDZVGELJXXEGPV-PQMHYQBVSA-N
MW231.09 g/mol
LogP1.60
Rot. Bonds2

About 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine

2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine (PubChem CID 5353646) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine
PubChem CID5353646
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-
InChIKeyWDZVGELJXXEGPV-PQMHYQBVSA-N
XLogP1.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.60
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)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine (CID 5353646) is 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine is NC(N)=N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The InChIKey is WDZVGELJXXEGPV-PQMHYQBVSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-.
What are the key properties of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine?
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine has a molecular weight of 231.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 5353646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).