(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine

C11H17N5 — CID 45097615

IUPAC(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
SMILESCC/N=C(N)/N=C(\N)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N5/c1-3-14-10(12)16-11(13)15-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyHKNZEGSMGHLSRL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.06
Rot. Bonds2

About (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine

(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine (PubChem CID 45097615) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
PubChem CID45097615
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
SMILESCC/N=C(N)/N=C(\N)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N5/c1-3-14-10(12)16-11(13)15-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyHKNZEGSMGHLSRL-UHFFFAOYSA-N
XLogP1.06
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
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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Related Compounds

1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
CID 21492995
2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034564
4-[(N'-ethylcarbamimidoyl)amino]benzamide
CID 62380720
2-[(1-ethylcyclobutyl)methyl]-1-(4-methylphenyl)guanidine
CID 111969294

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine?
The IUPAC name of (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine (CID 45097615) is (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine.
What is the SMILES notation for (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine?
The canonical SMILES for (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine is CC/N=C(N)/N=C(\N)Nc1ccc(C)cc1.
What is the InChIKey of (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine?
The InChIKey is HKNZEGSMGHLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-14-10(12)16-11(13)15-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15,16).
What are the key properties of (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine?
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine has a molecular weight of 219.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine is sourced from PubChem (CID 45097615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).