4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile

C13H17N3 — CID 146510734

IUPAC4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile
SMILESCN1CCC(N(C)c2ccc(C#N)cc2)C1
InChIInChI=1S/C13H17N3/c1-15-8-7-13(10-15)16(2)12-5-3-11(9-14)4-6-12/h3-6,13H,7-8,10H2,1-2H3
InChIKeyQPXBMKNUUGXDNB-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.70
Rot. Bonds2

About 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile

4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile (PubChem CID 146510734) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile
PubChem CID146510734
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile
SMILESCN1CCC(N(C)c2ccc(C#N)cc2)C1
InChIInChI=1S/C13H17N3/c1-15-8-7-13(10-15)16(2)12-5-3-11(9-14)4-6-12/h3-6,13H,7-8,10H2,1-2H3
InChIKeyQPXBMKNUUGXDNB-UHFFFAOYSA-N
XLogP1.70
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile?
The IUPAC name of 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile (CID 146510734) is 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile?
The canonical SMILES for 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile is CN1CCC(N(C)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile?
The InChIKey is QPXBMKNUUGXDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15-8-7-13(10-15)16(2)12-5-3-11(9-14)4-6-12/h3-6,13H,7-8,10H2,1-2H3.
What are the key properties of 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile?
4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 146510734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).