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

C16H19N5 — CID 11971695

IUPAC(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
SMILESCc1ccc(N/C(N)=N/C(N)=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H19N5/c1-12-7-9-14(10-8-12)20-16(18)21-15(17)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H5,17,18,19,20,21)
InChIKeySREIDEVTMDMSTQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.24
Rot. Bonds3

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

(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine (PubChem CID 11971695) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
PubChem CID11971695
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
SMILESCc1ccc(N/C(N)=N/C(N)=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H19N5/c1-12-7-9-14(10-8-12)20-16(18)21-15(17)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H5,17,18,19,20,21)
InChIKeySREIDEVTMDMSTQ-UHFFFAOYSA-N
XLogP2.24
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.24
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

(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
(1Z)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-benzylguanidine
CID 21492920
1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 45097615
2-benzyl-1-phenylguanidine
CID 12910062
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111024215
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine?
The IUPAC name of (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine (CID 11971695) is (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine.
What is the SMILES notation for (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine?
The canonical SMILES for (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine is Cc1ccc(N/C(N)=N/C(N)=N/Cc2ccccc2)cc1.
What is the InChIKey of (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine?
The InChIKey is SREIDEVTMDMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-7-9-14(10-8-12)20-16(18)21-15(17)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H5,17,18,19,20,21).
What are the key properties of (1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine?
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine has a molecular weight of 281.36 g/mol, XLogP of 2.24, 3 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-benzylguanidine is sourced from PubChem (CID 11971695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).