2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile

C17H22N4 — CID 115310050

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile
SMILESCC(C)CC(C)(CN)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H22N4/c1-12(2)9-17(3,11-19)21-16-8-13(10-18)14-6-4-5-7-15(14)20-16/h4-8,12H,9,11,19H2,1-3H3,(H,20,21)
InChIKeyUSNJLMRUEPFTNZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds5

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile (PubChem CID 115310050) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile
PubChem CID115310050
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile
SMILESCC(C)CC(C)(CN)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H22N4/c1-12(2)9-17(3,11-19)21-16-8-13(10-18)14-6-4-5-7-15(14)20-16/h4-8,12H,9,11,19H2,1-3H3,(H,20,21)
InChIKeyUSNJLMRUEPFTNZ-UHFFFAOYSA-N
XLogP3.28
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-[3-(hydroxymethyl)pentan-3-ylamino]quinoline-4-carbonitrile
CID 63884076
2-[(4-cyanoquinolin-2-yl)amino]-2-ethylbutanoic acid
CID 79814524
2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
CID 63884847
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
2-(hexan-2-ylamino)quinoline-4-carbonitrile
CID 63886594
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
2-anilinoquinoline-4-carbonitrile
CID 63884486
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile (CID 115310050) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile is CC(C)CC(C)(CN)Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile?
The InChIKey is USNJLMRUEPFTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12(2)9-17(3,11-19)21-16-8-13(10-18)14-6-4-5-7-15(14)20-16/h4-8,12H,9,11,19H2,1-3H3,(H,20,21).
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 115310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).