2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine

C11H16N6 — CID 174022405

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine
SMILESC=NNC(N)=N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N6/c1-13-15-11(12)16-14-8-9-4-6-10(7-5-9)17(2)3/h4-8H,1H2,2-3H3,(H3,12,15,16)/b14-8+
InChIKeyPIDBPGAZROYTCV-RIYZIHGNSA-N
MW232.29 g/mol
LogP0.61
Rot. Bonds4

About 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine (PubChem CID 174022405) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine
PubChem CID174022405
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine
SMILESC=NNC(N)=N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N6/c1-13-15-11(12)16-14-8-9-4-6-10(7-5-9)17(2)3/h4-8H,1H2,2-3H3,(H3,12,15,16)/b14-8+
InChIKeyPIDBPGAZROYTCV-RIYZIHGNSA-N
XLogP0.61
TPSA78.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
CID 6778167
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
CID 3802912
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine (CID 174022405) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine is C=NNC(N)=N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine?
The InChIKey is PIDBPGAZROYTCV-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H16N6/c1-13-15-11(12)16-14-8-9-4-6-10(7-5-9)17(2)3/h4-8H,1H2,2-3H3,(H3,12,15,16)/b14-8+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine has a molecular weight of 232.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine is sourced from PubChem (CID 174022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).