4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile

C15H24N2 — CID 151410841

IUPAC4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile
SMILESCCN(C1C=CC(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H24N2/c1-2-17(14-6-4-3-5-7-14)15-10-8-13(12-16)9-11-15/h8,10,13-15H,2-7,9,11H2,1H3
InChIKeyOYMICEPWCLJULG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.50
Rot. Bonds3

About 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile

4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile (PubChem CID 151410841) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile
PubChem CID151410841
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile
SMILESCCN(C1C=CC(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H24N2/c1-2-17(14-6-4-3-5-7-14)15-10-8-13(12-16)9-11-15/h8,10,13-15H,2-7,9,11H2,1H3
InChIKeyOYMICEPWCLJULG-UHFFFAOYSA-N
XLogP3.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile (CID 151410841) is 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile is CCN(C1C=CC(C#N)CC1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile?
The InChIKey is OYMICEPWCLJULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-17(14-6-4-3-5-7-14)15-10-8-13(12-16)9-11-15/h8,10,13-15H,2-7,9,11H2,1H3.
What are the key properties of 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile?
4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile has a molecular weight of 232.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]cyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 151410841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).