4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile

C12H14N2 — CID 60928920

IUPAC4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N(C)C1CC1
InChIInChI=1S/C12H14N2/c1-9-7-10(8-13)3-6-12(9)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyHPCXMWRCRFNKQS-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.47
Rot. Bonds2

About 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile

4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile (PubChem CID 60928920) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile
PubChem CID60928920
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N(C)C1CC1
InChIInChI=1S/C12H14N2/c1-9-7-10(8-13)3-6-12(9)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyHPCXMWRCRFNKQS-UHFFFAOYSA-N
XLogP2.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile 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

3-methyl-4-[methyl-(2-methylcyclohexyl)amino]benzonitrile
CID 55194796
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzonitrile
CID 61145884
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methylbenzonitrile
CID 55008751
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzonitrile
CID 82810191
4-[azetidin-3-yl(methyl)amino]-3-fluorobenzonitrile
CID 66182913
2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
CID 63668009
4-[methyl-(4-oxocyclohexyl)amino]-3-nitrobenzonitrile
CID 79119878
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
3-methyl-4-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 55000681
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile
CID 79111258

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile?
The IUPAC name of 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile (CID 60928920) is 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile is Cc1cc(C#N)ccc1N(C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile?
The InChIKey is HPCXMWRCRFNKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-7-10(8-13)3-6-12(9)14(2)11-4-5-11/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile?
4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 60928920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).