4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile

C16H19N3 — CID 107788205

IUPAC4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
SMILESCC(Nc1ccc(C#N)c(C#N)c1)C1CCCCC1
InChIInChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)19-16-8-7-14(10-17)15(9-16)11-18/h7-9,12-13,19H,2-6H2,1H3
InChIKeyUGLOSDOGHSEHPW-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.81
Rot. Bonds3

About 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile

4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile (PubChem CID 107788205) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
PubChem CID107788205
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
SMILESCC(Nc1ccc(C#N)c(C#N)c1)C1CCCCC1
InChIInChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)19-16-8-7-14(10-17)15(9-16)11-18/h7-9,12-13,19H,2-6H2,1H3
InChIKeyUGLOSDOGHSEHPW-UHFFFAOYSA-N
XLogP3.81
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylethylamino)benzene-1,2-dicarbonitrile
CID 104819789
2-bromo-4-(1-cyclohexylethylamino)benzonitrile
CID 107276282
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788366
4-chloro-2-(1-cyclopentylethylamino)benzonitrile
CID 62632984
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile (CID 107788205) is 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile is CC(Nc1ccc(C#N)c(C#N)c1)C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile?
The InChIKey is UGLOSDOGHSEHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)19-16-8-7-14(10-17)15(9-16)11-18/h7-9,12-13,19H,2-6H2,1H3.
What are the key properties of 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile?
4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).