4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile

C18H18N4 — CID 46837999

IUPAC4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
SMILESCN(CCN(C)c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N4/c1-21(17-7-3-15(13-19)4-8-17)11-12-22(2)18-9-5-16(14-20)6-10-18/h3-10H,11-12H2,1-2H3
InChIKeyHHESFWDEMCZBSS-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.00
Rot. Bonds5

About 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile

4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile (PubChem CID 46837999) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
PubChem CID46837999
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
SMILESCN(CCN(C)c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N4/c1-21(17-7-3-15(13-19)4-8-17)11-12-22(2)18-9-5-16(14-20)6-10-18/h3-10H,11-12H2,1-2H3
InChIKeyHHESFWDEMCZBSS-UHFFFAOYSA-N
XLogP3.00
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
4-[methyl(pentyl)amino]benzonitrile
CID 43295094
4-[2-(2-chloroethoxy)ethyl-methylamino]benzonitrile
CID 63666709
4-[but-2-enyl(methyl)amino]benzonitrile
CID 76979859
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815
4-[methyl(2-phenylsulfanylethyl)amino]benzonitrile
CID 79222499
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
4-[2-(aminomethyl)prop-2-enyl-methylamino]benzonitrile
CID 103070435
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
2-(4-cyano-N-methylanilino)ethyl 4-methylbenzenesulfonate
CID 86222074
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile?
The IUPAC name of 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile (CID 46837999) is 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile.
What is the SMILES notation for 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile?
The canonical SMILES for 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile is CN(CCN(C)c1ccc(C#N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile?
The InChIKey is HHESFWDEMCZBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-21(17-7-3-15(13-19)4-8-17)11-12-22(2)18-9-5-16(14-20)6-10-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile?
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile is sourced from PubChem (CID 46837999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).