1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine

C10H14N4O — CID 166950258

IUPAC1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
SMILESC/N=C(\N)N/N=C/c1cccc(OC)c1
InChIInChI=1S/C10H14N4O/c1-12-10(11)14-13-7-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H3,11,12,14)/b13-7+
InChIKeyDIHVSTKNOYSQHV-NTUHNPAUSA-N
MW206.25 g/mol
LogP0.56
Rot. Bonds3

About 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine

1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine (PubChem CID 166950258) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine.

Molecular Properties

Compound Name1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
PubChem CID166950258
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
SMILESC/N=C(\N)N/N=C/c1cccc(OC)c1
InChIInChI=1S/C10H14N4O/c1-12-10(11)14-13-7-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H3,11,12,14)/b13-7+
InChIKeyDIHVSTKNOYSQHV-NTUHNPAUSA-N
XLogP0.56
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
[3-[(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 958120
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine?
The IUPAC name of 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine (CID 166950258) is 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine.
What is the SMILES notation for 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine?
The canonical SMILES for 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine is C/N=C(\N)N/N=C/c1cccc(OC)c1.
What is the InChIKey of 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine?
The InChIKey is DIHVSTKNOYSQHV-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H14N4O/c1-12-10(11)14-13-7-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H3,11,12,14)/b13-7+.
What are the key properties of 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine?
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine has a molecular weight of 206.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine is sourced from PubChem (CID 166950258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).