4-(methylamino)benzonitrile

C8H8N2 — CID 10964551

IUPAC4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1
InChIInChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKeyJEDXDYXIRZOEKG-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.60
Rot. Bonds1

About 4-(methylamino)benzonitrile

4-(methylamino)benzonitrile (PubChem CID 10964551) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4-(methylamino)benzonitrile.

Molecular Properties

Compound Name4-(methylamino)benzonitrile
PubChem CID10964551
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1
InChIInChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKeyJEDXDYXIRZOEKG-UHFFFAOYSA-N
XLogP1.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)benzonitrile?
The IUPAC name of 4-(methylamino)benzonitrile (CID 10964551) is 4-(methylamino)benzonitrile.
What is the SMILES notation for 4-(methylamino)benzonitrile?
The canonical SMILES for 4-(methylamino)benzonitrile is CNc1ccc(C#N)cc1.
What is the InChIKey of 4-(methylamino)benzonitrile?
The InChIKey is JEDXDYXIRZOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3.
What are the key properties of 4-(methylamino)benzonitrile?
4-(methylamino)benzonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)benzonitrile is sourced from PubChem (CID 10964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).