(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine

C15H23N5 — CID 88752390

IUPAC(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
SMILESCc1cccc(C)c1N/C(N)=N/C(N)=N/C1CCCC1
InChIInChI=1S/C15H23N5/c1-10-6-5-7-11(2)13(10)19-15(17)20-14(16)18-12-8-3-4-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H5,16,17,18,19,20)
InChIKeyJKHYAXYYYWOQMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds2

About (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine

(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine (PubChem CID 88752390) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
PubChem CID88752390
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
SMILESCc1cccc(C)c1N/C(N)=N/C(N)=N/C1CCCC1
InChIInChI=1S/C15H23N5/c1-10-6-5-7-11(2)13(10)19-15(17)20-14(16)18-12-8-3-4-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H5,16,17,18,19,20)
InChIKeyJKHYAXYYYWOQMD-UHFFFAOYSA-N
XLogP2.29
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.29
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)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
1-[amino-(2,6-dimethylanilino)methylidene]-2-butan-2-ylguanidine
CID 54537324
(1E)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-cyclooctylguanidine
CID 21492926
N'-[(1R,2R)-2-[1-(2,6-dimethylanilino)ethylideneamino]cyclohexyl]-N-(2,6-dimethylphenyl)ethanimidamide
CID 102298360
2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
CID 67865852
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-pentylguanidine
CID 20543690
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
(1E)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 88751377
(1Z)-1-[amino-(2-methoxy-6-methylanilino)methylidene]-2-methylguanidine
CID 20543730
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine
CID 123628024
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine?
The IUPAC name of (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine (CID 88752390) is (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine.
What is the SMILES notation for (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine?
The canonical SMILES for (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine is Cc1cccc(C)c1N/C(N)=N/C(N)=N/C1CCCC1.
What is the InChIKey of (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine?
The InChIKey is JKHYAXYYYWOQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-6-5-7-11(2)13(10)19-15(17)20-14(16)18-12-8-3-4-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H5,16,17,18,19,20).
What are the key properties of (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine?
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine has a molecular weight of 273.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine is sourced from PubChem (CID 88752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).