3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile

C18H22N4 — CID 68879593

IUPAC3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile
SMILESCC1(C)CC(C#N)=CC(=NN=C2C=C(C#N)CC(C)(C)C2)C1
InChIInChI=1S/C18H22N4/c1-17(2)7-13(11-19)5-15(9-17)21-22-16-6-14(12-20)8-18(3,4)10-16/h5-6H,7-10H2,1-4H3
InChIKeyZKJUMEOMZSPLRM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.32
Rot. Bonds1

About 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile

3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile (PubChem CID 68879593) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile
PubChem CID68879593
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile
SMILESCC1(C)CC(C#N)=CC(=NN=C2C=C(C#N)CC(C)(C)C2)C1
InChIInChI=1S/C18H22N4/c1-17(2)7-13(11-19)5-15(9-17)21-22-16-6-14(12-20)8-18(3,4)10-16/h5-6H,7-10H2,1-4H3
InChIKeyZKJUMEOMZSPLRM-UHFFFAOYSA-N
XLogP4.32
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile?
The IUPAC name of 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile (CID 68879593) is 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile.
What is the SMILES notation for 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile?
The canonical SMILES for 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile is CC1(C)CC(C#N)=CC(=NN=C2C=C(C#N)CC(C)(C)C2)C1.
What is the InChIKey of 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile?
The InChIKey is ZKJUMEOMZSPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-17(2)7-13(11-19)5-15(9-17)21-22-16-6-14(12-20)8-18(3,4)10-16/h5-6H,7-10H2,1-4H3.
What are the key properties of 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile?
3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile is sourced from PubChem (CID 68879593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).