2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide

C13H26N4O — CID 112689629

IUPAC2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H26N4O/c1-3-17(4-2)12(18)10-15-13(14)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyQVOKBXSKHCKHFP-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.09
Rot. Bonds5

About 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide

2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide (PubChem CID 112689629) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
PubChem CID112689629
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H26N4O/c1-3-17(4-2)12(18)10-15-13(14)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyQVOKBXSKHCKHFP-UHFFFAOYSA-N
XLogP1.09
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide 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

ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
1-cyclohexyl-2-ethylguanidine
CID 18727697
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110921200
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888371
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide (CID 112689629) is 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide is CCN(CC)C(=O)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide?
The InChIKey is QVOKBXSKHCKHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-17(4-2)12(18)10-15-13(14)16-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide?
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide has a molecular weight of 254.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide is sourced from PubChem (CID 112689629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).