2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine

C10H14N4O3 — CID 168590530

IUPAC2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(C=NN=C(N)N)c(O)c(OC)c1
InChIInChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)9(15)8(4-7)17-2/h3-5,15H,1-2H3,(H4,11,12,14)
InChIKeyDZUGJGSJMGAACD-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds4

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

2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine (PubChem CID 168590530) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
PubChem CID168590530
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(C=NN=C(N)N)c(O)c(OC)c1
InChIInChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)9(15)8(4-7)17-2/h3-5,15H,1-2H3,(H4,11,12,14)
InChIKeyDZUGJGSJMGAACD-UHFFFAOYSA-N
XLogP0.02
TPSA115.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
CID 168590500
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]methylideneamino]guanidine
CID 168591125
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
CID 168592929

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine (CID 168590530) is 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine is COc1cc(C=NN=C(N)N)c(O)c(OC)c1.
What is the InChIKey of 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine?
The InChIKey is DZUGJGSJMGAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)9(15)8(4-7)17-2/h3-5,15H,1-2H3,(H4,11,12,14).
What are the key properties of 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine?
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine has a molecular weight of 238.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168590530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).