1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine

C12H17N5 — CID 89364945

IUPAC1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine
SMILESCC=NC(N)=N/C(=N\CC)Nc1ccccc1
InChIInChI=1S/C12H17N5/c1-3-14-11(13)17-12(15-4-2)16-10-8-6-5-7-9-10/h3,5-9H,4H2,1-2H3,(H3,13,15,16,17)
InChIKeyHIGGSSWDOFBVHS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.88
Rot. Bonds2

About 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine

1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine (PubChem CID 89364945) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine.

Molecular Properties

Compound Name1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine
PubChem CID89364945
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine
SMILESCC=NC(N)=N/C(=N\CC)Nc1ccccc1
InChIInChI=1S/C12H17N5/c1-3-14-11(13)17-12(15-4-2)16-10-8-6-5-7-9-10/h3,5-9H,4H2,1-2H3,(H3,13,15,16,17)
InChIKeyHIGGSSWDOFBVHS-UHFFFAOYSA-N
XLogP1.88
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine?
The IUPAC name of 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine (CID 89364945) is 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine.
What is the SMILES notation for 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine?
The canonical SMILES for 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine is CC=NC(N)=N/C(=N\CC)Nc1ccccc1.
What is the InChIKey of 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine?
The InChIKey is HIGGSSWDOFBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-14-11(13)17-12(15-4-2)16-10-8-6-5-7-9-10/h3,5-9H,4H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine?
1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine has a molecular weight of 231.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine is sourced from PubChem (CID 89364945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).