2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile

C15H18N4 — CID 154691712

IUPAC2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
SMILESCCN(C)C1=C(C#N)C(=C(C#N)C#N)CC(C)(C)C1
InChIInChI=1S/C15H18N4/c1-5-19(4)14-7-15(2,3)6-12(13(14)10-18)11(8-16)9-17/h5-7H2,1-4H3
InChIKeyJKVJAIBEGVZTFB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.88
Rot. Bonds2

About 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile

2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile (PubChem CID 154691712) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
PubChem CID154691712
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
SMILESCCN(C)C1=C(C#N)C(=C(C#N)C#N)CC(C)(C)C1
InChIInChI=1S/C15H18N4/c1-5-19(4)14-7-15(2,3)6-12(13(14)10-18)11(8-16)9-17/h5-7H2,1-4H3
InChIKeyJKVJAIBEGVZTFB-UHFFFAOYSA-N
XLogP2.88
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?
The IUPAC name of 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile (CID 154691712) is 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile is CCN(C)C1=C(C#N)C(=C(C#N)C#N)CC(C)(C)C1.
What is the InChIKey of 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?
The InChIKey is JKVJAIBEGVZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-5-19(4)14-7-15(2,3)6-12(13(14)10-18)11(8-16)9-17/h5-7H2,1-4H3.
What are the key properties of 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?
2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile has a molecular weight of 254.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile is sourced from PubChem (CID 154691712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).