2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C17H27IN4O — CID 111090850

IUPAC2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC2CCCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-13-8-10-15(11-9-13)21-17(18)19-12-16(22)20-14-6-4-3-5-7-14;/h8-11,14H,2-7,12H2,1H3,(H,20,22)(H3,18,19,21);1H
InChIKeyQDLUQJVJSRPYQN-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.04
Rot. Bonds5

About 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 111090850) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID111090850
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC2CCCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-13-8-10-15(11-9-13)21-17(18)19-12-16(22)20-14-6-4-3-5-7-14;/h8-11,14H,2-7,12H2,1H3,(H,20,22)(H3,18,19,21);1H
InChIKeyQDLUQJVJSRPYQN-UHFFFAOYSA-N
XLogP3.04
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.04
H-Bond Donors ≤ 53
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': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117591
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090870
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075467

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 111090850) is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is CCc1ccc(N/C(N)=N/CC(=O)NC2CCCCC2)cc1.I.
What is the InChIKey of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is QDLUQJVJSRPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-2-13-8-10-15(11-9-13)21-17(18)19-12-16(22)20-14-6-4-3-5-7-14;/h8-11,14H,2-7,12H2,1H3,(H,20,22)(H3,18,19,21);1H.
What are the key properties of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 111090850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).