4-(methylaminomethyl)benzonitrile

C9H10N2 — CID 10606883

IUPAC4-(methylaminomethyl)benzonitrile
SMILESCNCc1ccc(C#N)cc1
InChIInChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
InChIKeyDWXAJFNXJVIBDP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds2

About 4-(methylaminomethyl)benzonitrile

4-(methylaminomethyl)benzonitrile (PubChem CID 10606883) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(methylaminomethyl)benzonitrile.

Molecular Properties

Compound Name4-(methylaminomethyl)benzonitrile
PubChem CID10606883
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4-(methylaminomethyl)benzonitrile
SMILESCNCc1ccc(C#N)cc1
InChIInChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
InChIKeyDWXAJFNXJVIBDP-UHFFFAOYSA-N
XLogP1.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methylaminomethyl)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-(methylaminomethyl)benzonitrile?
The IUPAC name of 4-(methylaminomethyl)benzonitrile (CID 10606883) is 4-(methylaminomethyl)benzonitrile.
What is the SMILES notation for 4-(methylaminomethyl)benzonitrile?
The canonical SMILES for 4-(methylaminomethyl)benzonitrile is CNCc1ccc(C#N)cc1.
What is the InChIKey of 4-(methylaminomethyl)benzonitrile?
The InChIKey is DWXAJFNXJVIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3.
What are the key properties of 4-(methylaminomethyl)benzonitrile?
4-(methylaminomethyl)benzonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)benzonitrile is sourced from PubChem (CID 10606883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).