3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

C15H16N2S — CID 43762497

IUPAC3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H16N2S/c1-11(2)15(14-7-4-8-18-14)17-13-6-3-5-12(9-13)10-16/h3-9,11,15,17H,1-2H3
InChIKeyZCXYBYPBUWDPFJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.43
Rot. Bonds4

About 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (PubChem CID 43762497) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
PubChem CID43762497
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H16N2S/c1-11(2)15(14-7-4-8-18-14)17-13-6-3-5-12(9-13)10-16/h3-9,11,15,17H,1-2H3
InChIKeyZCXYBYPBUWDPFJ-UHFFFAOYSA-N
XLogP4.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methyl-1-thiophen-2-ylpropyl)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

Related Compounds

4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
3-ethynyl-N-(1-thiophen-2-ylethyl)aniline
CID 43189637
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406
2-[4-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenoxy]acetonitrile
CID 43767915
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-(but-3-en-2-ylamino)benzonitrile
CID 102817370

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The IUPAC name of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (CID 43762497) is 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The canonical SMILES for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is CC(C)C(Nc1cccc(C#N)c1)c1cccs1.
What is the InChIKey of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The InChIKey is ZCXYBYPBUWDPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(2)15(14-7-4-8-18-14)17-13-6-3-5-12(9-13)10-16/h3-9,11,15,17H,1-2H3.
What are the key properties of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile has a molecular weight of 256.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 43762497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).