4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile

C14H19N3O — CID 133442887

IUPAC4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile
SMILESCCN(C)CCNc1cc(C(C)=O)ccc1C#N
InChIInChI=1S/C14H19N3O/c1-4-17(3)8-7-16-14-9-12(11(2)18)5-6-13(14)10-15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyQHHSCYNAJWLVLM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds6

About 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile

4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile (PubChem CID 133442887) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile
PubChem CID133442887
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile
SMILESCCN(C)CCNc1cc(C(C)=O)ccc1C#N
InChIInChI=1S/C14H19N3O/c1-4-17(3)8-7-16-14-9-12(11(2)18)5-6-13(14)10-15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyQHHSCYNAJWLVLM-UHFFFAOYSA-N
XLogP2.12
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 133457332
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
CID 62641602
4-acetyl-2-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 133465882
4-acetyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]benzonitrile
CID 133459170
4-acetyl-2-(2-prop-2-ynylsulfanylethylamino)benzonitrile
CID 133458425
4-acetyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 133466054
4-acetyl-2-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466180
4-acetyl-2-[2-[benzyl(methyl)amino]propylamino]benzonitrile
CID 133457963
4-acetyl-2-[(3,5-dimethylpyrazolidin-4-yl)methylamino]benzonitrile
CID 133457099
4-acetyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzonitrile
CID 133455178
4-acetyl-2-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 133454658
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile?
The IUPAC name of 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile (CID 133442887) is 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile?
The canonical SMILES for 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile is CCN(C)CCNc1cc(C(C)=O)ccc1C#N.
What is the InChIKey of 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile?
The InChIKey is QHHSCYNAJWLVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17(3)8-7-16-14-9-12(11(2)18)5-6-13(14)10-15/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile?
4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile is sourced from PubChem (CID 133442887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).