2-[(3,5-dichlorophenyl)methylideneamino]guanidine

C8H8Cl2N4 — CID 66842284

IUPAC2-[(3,5-dichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2N4/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyDYTPLPXEJHIPJS-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.60
Rot. Bonds2

About 2-[(3,5-dichlorophenyl)methylideneamino]guanidine

2-[(3,5-dichlorophenyl)methylideneamino]guanidine (PubChem CID 66842284) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylideneamino]guanidine
PubChem CID66842284
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-[(3,5-dichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2N4/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyDYTPLPXEJHIPJS-UHFFFAOYSA-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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Related Compounds

2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine
CID 3878452
2-[(E)-benzylideneamino]guanidine;2-[(E)-(2-chloro-4,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine
CID 172956767
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
CID 66842140
2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172932220
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
[[N'-[(3,5-dichlorophenyl)methylideneamino]carbamimidoyl]amino] acetate
CID 91464433
2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
CID 142491979
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]guanidine
CID 73146438
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylideneamino]guanidine (CID 66842284) is 2-[(3,5-dichlorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylideneamino]guanidine?
The InChIKey is DYTPLPXEJHIPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14).
What are the key properties of 2-[(3,5-dichlorophenyl)methylideneamino]guanidine?
2-[(3,5-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-[(3,5-dichlorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 66842284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).