5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile

C15H20Cl2N2 — CID 115651127

IUPAC5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c1-15(2,7-3-8-18)11-19-9-6-12-4-5-13(16)10-14(12)17/h4-5,10,19H,3,6-7,9,11H2,1-2H3
InChIKeyJXCYOZRDSICZFM-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.46
Rot. Bonds7

About 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile

5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile (PubChem CID 115651127) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
PubChem CID115651127
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC Name5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c1-15(2,7-3-8-18)11-19-9-6-12-4-5-13(16)10-14(12)17/h4-5,10,19H,3,6-7,9,11H2,1-2H3
InChIKeyJXCYOZRDSICZFM-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile 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

5-[2-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113242821
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708139
5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651461
2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65482531
2-cyano-N-[2-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 68726093
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375694

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile (CID 115651127) is 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The InChIKey is JXCYOZRDSICZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-15(2,7-3-8-18)11-19-9-6-12-4-5-13(16)10-14(12)17/h4-5,10,19H,3,6-7,9,11H2,1-2H3.
What are the key properties of 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile has a molecular weight of 299.24 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).