2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C21H33IN4O — CID 111541129

IUPAC2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCCC1=CCCCC1)c1ccccc1.I
InChIInChI=1S/C21H32N4O.HI/c1-17(19-12-8-5-9-13-19)24-21(23-16-20(26)25(2)3)22-15-14-18-10-6-4-7-11-18;/h5,8-10,12-13,17H,4,6-7,11,14-16H2,1-3H3,(H2,22,23,24);1H
InChIKeyLODBFRULKJEBJF-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.88
Rot. Bonds7

About 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111541129) has the molecular formula C21H33IN4O and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111541129
Molecular FormulaC21H33IN4O
Molecular Weight484.43 g/mol
Exact Mass484.17
IUPAC Name2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCCC1=CCCCC1)c1ccccc1.I
InChIInChI=1S/C21H32N4O.HI/c1-17(19-12-8-5-9-13-19)24-21(23-16-20(26)25(2)3)22-15-14-18-10-6-4-7-11-18;/h5,8-10,12-13,17H,4,6-7,11,14-16H2,1-3H3,(H2,22,23,24);1H
InChIKeyLODBFRULKJEBJF-UHFFFAOYSA-N
XLogP3.88
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.88
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;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

N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide
CID 111545909
2-[[[2-(furan-2-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545758
2-[[(3-cyclohexyloxypropylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545914
1-[2-(cyclohexen-1-yl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111541147
2-[[[2-(cyclohexen-1-yl)ethylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769606
tert-butyl N-[3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111545662
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N,N-dimethyl-2-[[[3-(2-methylpropoxy)propylamino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545863
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]acetamide
CID 111981847
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545762

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111541129) is 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC(N/C(=N/CC(=O)N(C)C)NCCC1=CCCCC1)c1ccccc1.I.
What is the InChIKey of 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is LODBFRULKJEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.HI/c1-17(19-12-8-5-9-13-19)24-21(23-16-20(26)25(2)3)22-15-14-18-10-6-4-7-11-18;/h5,8-10,12-13,17H,4,6-7,11,14-16H2,1-3H3,(H2,22,23,24);1H.
What are the key properties of 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111541129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).