2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine

C13H14N4O — CID 168591904

IUPAC2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
SMILESCOc1cccc2cccc(C=NN=C(N)N)c12
InChIInChI=1S/C13H14N4O/c1-18-11-7-3-5-9-4-2-6-10(12(9)11)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
InChIKeyQICUBXMMHCKBBJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.46
Rot. Bonds3

About 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine

2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine (PubChem CID 168591904) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
PubChem CID168591904
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
SMILESCOc1cccc2cccc(C=NN=C(N)N)c12
InChIInChI=1S/C13H14N4O/c1-18-11-7-3-5-9-4-2-6-10(12(9)11)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
InChIKeyQICUBXMMHCKBBJ-UHFFFAOYSA-N
XLogP1.46
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.46
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

2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
2-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
CID 168590573
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
methyl N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]carbamimidothioate
CID 110510355
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
zinc;N'-[(E)-(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidothioate;hydrate
CID 172986565
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine (CID 168591904) is 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine is COc1cccc2cccc(C=NN=C(N)N)c12.
What is the InChIKey of 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine?
The InChIKey is QICUBXMMHCKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-18-11-7-3-5-9-4-2-6-10(12(9)11)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17).
What are the key properties of 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine?
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine has a molecular weight of 242.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine is sourced from PubChem (CID 168591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).