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

C17H19N5 — CID 118931056

IUPAC1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
SMILESCc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1C
InChIInChI=1S/C17H19N5/c1-13-7-3-5-9-15(13)11-19-21-17(18)22-20-12-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+
InChIKeyOTBIEJVCTQKFKW-AYKLPDECSA-N
MW293.37 g/mol
LogP2.58
Rot. Bonds4

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

1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine (PubChem CID 118931056) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
PubChem CID118931056
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
SMILESCc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1C
InChIInChI=1S/C17H19N5/c1-13-7-3-5-9-15(13)11-19-21-17(18)22-20-12-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+
InChIKeyOTBIEJVCTQKFKW-AYKLPDECSA-N
XLogP2.58
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.58
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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
1,2-bis[(2-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 140813721
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
1,2-bis[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 131998260
1,2-bis[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 164928810
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
CID 135915344

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine (CID 118931056) is 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine is Cc1ccccc1/C=N/N=C(\N)N/N=C/c1ccccc1C.
What is the InChIKey of 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine?
The InChIKey is OTBIEJVCTQKFKW-AYKLPDECSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-7-3-5-9-15(13)11-19-21-17(18)22-20-12-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12+.
What are the key properties of 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine has a molecular weight of 293.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 118931056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).