4-[ethyl(methyl)amino]benzonitrile

C10H12N2 — CID 43263535

IUPAC4-[ethyl(methyl)amino]benzonitrile
SMILESCCN(C)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-3-12(2)10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3
InChIKeyUUAVWKKVLMXOFV-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.01
Rot. Bonds2

About 4-[ethyl(methyl)amino]benzonitrile

4-[ethyl(methyl)amino]benzonitrile (PubChem CID 43263535) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]benzonitrile
PubChem CID43263535
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-[ethyl(methyl)amino]benzonitrile
SMILESCCN(C)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-3-12(2)10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3
InChIKeyUUAVWKKVLMXOFV-UHFFFAOYSA-N
XLogP2.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]benzonitrile?
The IUPAC name of 4-[ethyl(methyl)amino]benzonitrile (CID 43263535) is 4-[ethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-[ethyl(methyl)amino]benzonitrile?
The canonical SMILES for 4-[ethyl(methyl)amino]benzonitrile is CCN(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]benzonitrile?
The InChIKey is UUAVWKKVLMXOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-12(2)10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3.
What are the key properties of 4-[ethyl(methyl)amino]benzonitrile?
4-[ethyl(methyl)amino]benzonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 43263535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).