5-anilino-2,2-dimethylpentanenitrile

C13H18N2 — CID 65256464

IUPAC5-anilino-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNc1ccccc1
InChIInChI=1S/C13H18N2/c1-13(2,11-14)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-10H2,1-2H3
InChIKeyKEHJCONIRDOQGU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.43
Rot. Bonds5

About 5-anilino-2,2-dimethylpentanenitrile

5-anilino-2,2-dimethylpentanenitrile (PubChem CID 65256464) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-anilino-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-anilino-2,2-dimethylpentanenitrile
PubChem CID65256464
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-anilino-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNc1ccccc1
InChIInChI=1S/C13H18N2/c1-13(2,11-14)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-10H2,1-2H3
InChIKeyKEHJCONIRDOQGU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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

5-(3-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65256904
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
5-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpentanenitrile
CID 103579712
2-chloro-4-[(4-cyano-4-methylpentyl)amino]benzonitrile
CID 65254563
6-(3,4-difluoroanilino)-2,2-dimethylhexanenitrile
CID 106708998
6-(2-tert-butylanilino)-2,2-dimethylhexanenitrile
CID 106709354
4-[(3-cyano-3-methylbutyl)amino]benzonitrile
CID 65249079
4-(4-chloroanilino)-2,2-dimethylbutanenitrile
CID 65249314
2,2-dimethyl-5-(3,4,5-trimethoxyanilino)pentanenitrile
CID 65257056
6-(2-ethylanilino)-2,2-dimethylhexanenitrile
CID 106709014
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2,2-dimethylpentanenitrile?
The IUPAC name of 5-anilino-2,2-dimethylpentanenitrile (CID 65256464) is 5-anilino-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-anilino-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-anilino-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNc1ccccc1.
What is the InChIKey of 5-anilino-2,2-dimethylpentanenitrile?
The InChIKey is KEHJCONIRDOQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,11-14)9-6-10-15-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-10H2,1-2H3.
What are the key properties of 5-anilino-2,2-dimethylpentanenitrile?
5-anilino-2,2-dimethylpentanenitrile has a molecular weight of 202.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65256464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).