2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile

C13H20N4 — CID 113444731

IUPAC2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile
SMILESCN(C)C(C)(C)CNc1cccc(C#N)c1N
InChIInChI=1S/C13H20N4/c1-13(2,17(3)4)9-16-11-7-5-6-10(8-14)12(11)15/h5-7,16H,9,15H2,1-4H3
InChIKeyNWOYZNZUWXCOGI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile

2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile (PubChem CID 113444731) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile
PubChem CID113444731
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile
SMILESCN(C)C(C)(C)CNc1cccc(C#N)c1N
InChIInChI=1S/C13H20N4/c1-13(2,17(3)4)9-16-11-7-5-6-10(8-14)12(11)15/h5-7,16H,9,15H2,1-4H3
InChIKeyNWOYZNZUWXCOGI-UHFFFAOYSA-N
XLogP1.89
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-(2-methylbutan-2-ylamino)benzonitrile
CID 104716196
2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
CID 107927307
2-amino-3-[2-[ethyl(propyl)amino]ethylamino]benzonitrile
CID 114133065
2-amino-3-(3,3-dimethylbutan-2-ylamino)benzonitrile
CID 104827387
2-amino-3-(3-methylsulfanylpropylamino)benzonitrile
CID 104716786
3-(2-amino-3-cyanoanilino)-N-tert-butylpropanamide
CID 104717058
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
2-amino-3-(3-methylsulfonylpropylamino)benzonitrile
CID 113444736
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-amino-3-(2-cyclopentylethylamino)benzonitrile
CID 104716387
2-amino-3-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 104716595

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile?
The IUPAC name of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile (CID 113444731) is 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile.
What is the SMILES notation for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile?
The canonical SMILES for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile is CN(C)C(C)(C)CNc1cccc(C#N)c1N.
What is the InChIKey of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile?
The InChIKey is NWOYZNZUWXCOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,17(3)4)9-16-11-7-5-6-10(8-14)12(11)15/h5-7,16H,9,15H2,1-4H3.
What are the key properties of 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile?
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile has a molecular weight of 232.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile is sourced from PubChem (CID 113444731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).