1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine

C17H19N5O2 — CID 86279916

IUPAC1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1OC
InChIInChI=1S/C17H19N5O2/c1-23-15-9-5-3-7-13(15)11-19-21-17(18)22-20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+
InChIKeyIENIGYDXVJYENX-AYKLPDECSA-N
MW325.37 g/mol
LogP1.98
Rot. Bonds6

About 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine

1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine (PubChem CID 86279916) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine
PubChem CID86279916
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1OC
InChIInChI=1S/C17H19N5O2/c1-23-15-9-5-3-7-13(15)11-19-21-17(18)22-20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+
InChIKeyIENIGYDXVJYENX-AYKLPDECSA-N
XLogP1.98
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Benzaldehyde, 4-methoxy-, 2-((4-methoxyphenyl)methylene)hydrazone
CID 6861420
Anisaldehyde, thiosemicarbazone
CID 6864775
[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5332225
3-Methoxybenzaldehyde thiosemicarbazone
CID 5375908
2-Methoxybenzaldehyde azine
CID 9575478
1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 9701618
methyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237329
ethyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237330
3-Methoxybenzaldehyde 2-((3-methoxyphenyl)methylene)hydrazone
CID 6891506
Hydrazinecarboximidamide, 2-((4-methoxyphenyl)methylene)-
CID 5343661

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine (CID 86279916) is 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine is COc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1OC.
What is the InChIKey of 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is IENIGYDXVJYENX-AYKLPDECSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-15-9-5-3-7-13(15)11-19-21-17(18)22-20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+.
What are the key properties of 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 325.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(2-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 86279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).