2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile

C14H19N3 — CID 113416829

IUPAC2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
SMILESCC(C)C1CCN(c2ccc(N)c(C#N)c2)C1
InChIInChI=1S/C14H19N3/c1-10(2)11-5-6-17(9-11)13-3-4-14(16)12(7-13)8-15/h3-4,7,10-11H,5-6,9,16H2,1-2H3
InChIKeyAIMXVFRNJCMTFG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile

2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile (PubChem CID 113416829) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
PubChem CID113416829
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
SMILESCC(C)C1CCN(c2ccc(N)c(C#N)c2)C1
InChIInChI=1S/C14H19N3/c1-10(2)11-5-6-17(9-11)13-3-4-14(16)12(7-13)8-15/h3-4,7,10-11H,5-6,9,16H2,1-2H3
InChIKeyAIMXVFRNJCMTFG-UHFFFAOYSA-N
XLogP2.62
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile 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

2-amino-5-(3-propylpyrrolidin-1-yl)benzonitrile
CID 113416873
4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 112698409
2-amino-5-(4-methoxypiperidin-1-yl)benzonitrile
CID 113323838
2-amino-5-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 113323967
1-[2-amino-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanone
CID 104529165
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 115499065
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
3-chloro-4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 113417453
3-fluoro-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 102817261
2-amino-5-(3,3-diethylpyrrolidin-1-yl)benzonitrile
CID 113324037
5-(3-propan-2-ylpyrrolidin-1-yl)pyridin-3-amine
CID 104535877
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile?
The IUPAC name of 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile (CID 113416829) is 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile is CC(C)C1CCN(c2ccc(N)c(C#N)c2)C1.
What is the InChIKey of 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile?
The InChIKey is AIMXVFRNJCMTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)11-5-6-17(9-11)13-3-4-14(16)12(7-13)8-15/h3-4,7,10-11H,5-6,9,16H2,1-2H3.
What are the key properties of 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile?
2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 113416829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).