2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile

C12H14N2 — CID 81278621

IUPAC2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
SMILESCc1cc(NC2CC2C)ccc1C#N
InChIInChI=1S/C12H14N2/c1-8-5-11(4-3-10(8)7-13)14-12-6-9(12)2/h3-5,9,12,14H,6H2,1-2H3
InChIKeyZSERJQFOXOLSRG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile

2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile (PubChem CID 81278621) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
PubChem CID81278621
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
SMILESCc1cc(NC2CC2C)ccc1C#N
InChIInChI=1S/C12H14N2/c1-8-5-11(4-3-10(8)7-13)14-12-6-9(12)2/h3-5,9,12,14H,6H2,1-2H3
InChIKeyZSERJQFOXOLSRG-UHFFFAOYSA-N
XLogP2.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[(2-methylcyclopropyl)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

2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 107276281
4-[[2-(aminomethyl)cyclohexyl]amino]-2-methylbenzonitrile
CID 81278602
2-methyl-4-(oxan-4-ylamino)benzonitrile
CID 81273340
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033
4-(2-chlorohydrazinyl)-2-methylbenzonitrile
CID 22118357
2-methyl-4-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 81276367
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
2-methyl-4-(piperidin-1-ylamino)benzonitrile
CID 83016142
2-(4-cyano-3-methylanilino)-1-methylcyclopentane-1-carboxylic acid
CID 82762995
O-methyl N-(4-cyano-3-methylphenyl)carbamothioate
CID 145054774
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile?
The IUPAC name of 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile (CID 81278621) is 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile?
The canonical SMILES for 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile is Cc1cc(NC2CC2C)ccc1C#N.
What is the InChIKey of 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile?
The InChIKey is ZSERJQFOXOLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-5-11(4-3-10(8)7-13)14-12-6-9(12)2/h3-5,9,12,14H,6H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile?
2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile is sourced from PubChem (CID 81278621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).