5-(2,4-dimethylanilino)pentanenitrile

C13H18N2 — CID 60679541

IUPAC5-(2,4-dimethylanilino)pentanenitrile
SMILESCc1ccc(NCCCCC#N)c(C)c1
InChIInChI=1S/C13H18N2/c1-11-6-7-13(12(2)10-11)15-9-5-3-4-8-14/h6-7,10,15H,3-5,9H2,1-2H3
InChIKeyKCLPMDMAXSQHGE-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.41
Rot. Bonds5

About 5-(2,4-dimethylanilino)pentanenitrile

5-(2,4-dimethylanilino)pentanenitrile (PubChem CID 60679541) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)pentanenitrile.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)pentanenitrile
PubChem CID60679541
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-(2,4-dimethylanilino)pentanenitrile
SMILESCc1ccc(NCCCCC#N)c(C)c1
InChIInChI=1S/C13H18N2/c1-11-6-7-13(12(2)10-11)15-9-5-3-4-8-14/h6-7,10,15H,3-5,9H2,1-2H3
InChIKeyKCLPMDMAXSQHGE-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methanimidoyl-4-methylanilino)butanenitrile
CID 144928821
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
4-[(2,4-dimethylphenyl)methylamino]butanenitrile
CID 115231662
5-(3-bromo-4-methylanilino)pentanenitrile
CID 63334116
5-methyl-2-(5-methylhexylamino)benzonitrile
CID 107927694
N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 54805874
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54806040
5-[2,4-bis(methylsulfonyl)anilino]pentanenitrile
CID 133299706
2-(3-cyanopropylsulfonyl)-N-(2,4-dimethylphenyl)acetamide
CID 82183116
5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)pentanenitrile?
The IUPAC name of 5-(2,4-dimethylanilino)pentanenitrile (CID 60679541) is 5-(2,4-dimethylanilino)pentanenitrile.
What is the SMILES notation for 5-(2,4-dimethylanilino)pentanenitrile?
The canonical SMILES for 5-(2,4-dimethylanilino)pentanenitrile is Cc1ccc(NCCCCC#N)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)pentanenitrile?
The InChIKey is KCLPMDMAXSQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-6-7-13(12(2)10-11)15-9-5-3-4-8-14/h6-7,10,15H,3-5,9H2,1-2H3.
What are the key properties of 5-(2,4-dimethylanilino)pentanenitrile?
5-(2,4-dimethylanilino)pentanenitrile has a molecular weight of 202.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylanilino)pentanenitrile is sourced from PubChem (CID 60679541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).