2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile

C17H16N4O — CID 168608105

IUPAC2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1OC1CCCCC1
InChIInChI=1S/C17H16N4O/c18-10-13(11-19)16(12-20)21-15-8-4-5-9-17(15)22-14-6-2-1-3-7-14/h4-5,8-9,14,21H,1-3,6-7H2
InChIKeyMSSSBJUWYXMCHN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile

2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile (PubChem CID 168608105) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile
PubChem CID168608105
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1OC1CCCCC1
InChIInChI=1S/C17H16N4O/c18-10-13(11-19)16(12-20)21-15-8-4-5-9-17(15)22-14-6-2-1-3-7-14/h4-5,8-9,14,21H,1-3,6-7H2
InChIKeyMSSSBJUWYXMCHN-UHFFFAOYSA-N
XLogP3.63
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyloxy-5-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168608568
2-(2-cyclopentyloxy-6-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168609548
2-cyclopentyloxy-N-methylaniline
CID 130903637
tert-butyl 3-[2-(1,2,2-tricyanoethenylamino)phenoxy]pyrrolidine-1-carboxylate
CID 168608751
N,N-dicyclohexyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168609371
2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168607208
1,2-dicyclohexyloxybenzene
CID 67331328
N-(2-cyclopentyloxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 119737329
2-(4-bromophenyl)-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807841
3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138727
2-[(2-cyclohexyl-1-oxo-3H-isoindol-4-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607913

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile (CID 168608105) is 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)Nc1ccccc1OC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile?
The InChIKey is MSSSBJUWYXMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-10-13(11-19)16(12-20)21-15-8-4-5-9-17(15)22-14-6-2-1-3-7-14/h4-5,8-9,14,21H,1-3,6-7H2.
What are the key properties of 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile?
2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168608105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).