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

C10H15N5 — CID 6058241

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)/b13-7+
InChIKeyKGSVTIOPRMVDLA-NTUHNPAUSA-N
MW205.26 g/mol
LogP0.36
Rot. Bonds3

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

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine (PubChem CID 6058241) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine
PubChem CID6058241
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)/b13-7+
InChIKeyKGSVTIOPRMVDLA-NTUHNPAUSA-N
XLogP0.36
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine (CID 6058241) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine is CN(C)c1ccc(/C=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine?
The InChIKey is KGSVTIOPRMVDLA-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)/b13-7+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 6058241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).