2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine

C12H19N5O — CID 11161011

IUPAC2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
SMILESCCN(CC)c1ccc(/C=N/N=C(\N)NO)cc1
InChIInChI=1S/C12H19N5O/c1-3-17(4-2)11-7-5-10(6-8-11)9-14-15-12(13)16-18/h5-9,18H,3-4H2,1-2H3,(H3,13,15,16)/b14-9+
InChIKeyRJMNLWQZDYYPIR-NTEUORMPSA-N
MW249.32 g/mol
LogP1.16
Rot. Bonds5

About 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine

2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine (PubChem CID 11161011) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
PubChem CID11161011
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
SMILESCCN(CC)c1ccc(/C=N/N=C(\N)NO)cc1
InChIInChI=1S/C12H19N5O/c1-3-17(4-2)11-7-5-10(6-8-11)9-14-15-12(13)16-18/h5-9,18H,3-4H2,1-2H3,(H3,13,15,16)/b14-9+
InChIKeyRJMNLWQZDYYPIR-NTEUORMPSA-N
XLogP1.16
TPSA86.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine (CID 11161011) is 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine is CCN(CC)c1ccc(/C=N/N=C(\N)NO)cc1.
What is the InChIKey of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The InChIKey is RJMNLWQZDYYPIR-NTEUORMPSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-17(4-2)11-7-5-10(6-8-11)9-14-15-12(13)16-18/h5-9,18H,3-4H2,1-2H3,(H3,13,15,16)/b14-9+.
What are the key properties of 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine has a molecular weight of 249.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11161011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).