1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine

C11H16N4 — CID 13451352

IUPAC1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine
SMILESC/C(=N\N=C(/N)N(C)C)c1ccccc1
InChIInChI=1S/C11H16N4/c1-9(10-7-5-4-6-8-10)13-14-11(12)15(2)3/h4-8H,1-3H3,(H2,12,14)/b13-9+
InChIKeyZYTORCHKSQVUGA-UKTHLTGXSA-N
MW204.28 g/mol
LogP1.29
Rot. Bonds2

About 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine

1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine (PubChem CID 13451352) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine
PubChem CID13451352
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine
SMILESC/C(=N\N=C(/N)N(C)C)c1ccccc1
InChIInChI=1S/C11H16N4/c1-9(10-7-5-4-6-8-10)13-14-11(12)15(2)3/h4-8H,1-3H3,(H2,12,14)/b13-9+
InChIKeyZYTORCHKSQVUGA-UKTHLTGXSA-N
XLogP1.29
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine?
The IUPAC name of 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine (CID 13451352) is 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine is C/C(=N\N=C(/N)N(C)C)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine?
The InChIKey is ZYTORCHKSQVUGA-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H16N4/c1-9(10-7-5-4-6-8-10)13-14-11(12)15(2)3/h4-8H,1-3H3,(H2,12,14)/b13-9+.
What are the key properties of 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine?
1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(E)-1-phenylethylideneamino]guanidine is sourced from PubChem (CID 13451352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).