4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile

C18H23N3 — CID 107788377

IUPAC4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
SMILESCC(C)CC1CCCC(Nc2ccc(C#N)c(C#N)c2)C1
InChIInChI=1S/C18H23N3/c1-13(2)8-14-4-3-5-17(9-14)21-18-7-6-15(11-19)16(10-18)12-20/h6-7,10,13-14,17,21H,3-5,8-9H2,1-2H3
InChIKeyKOYJECRAEIHPMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.45
Rot. Bonds4

About 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile

4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile (PubChem CID 107788377) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
PubChem CID107788377
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
SMILESCC(C)CC1CCCC(Nc2ccc(C#N)c(C#N)c2)C1
InChIInChI=1S/C18H23N3/c1-13(2)8-14-4-3-5-17(9-14)21-18-7-6-15(11-19)16(10-18)12-20/h6-7,10,13-14,17,21H,3-5,8-9H2,1-2H3
InChIKeyKOYJECRAEIHPMW-UHFFFAOYSA-N
XLogP4.45
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethylcyclohexyl)amino]benzene-1,2-dicarbonitrile
CID 107788181
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788366
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
3-bromo-4-[[3-(2-methylpropyl)cyclohexyl]amino]benzonitrile
CID 107428188
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
CID 107428313
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile (CID 107788377) is 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile is CC(C)CC1CCCC(Nc2ccc(C#N)c(C#N)c2)C1.
What is the InChIKey of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is KOYJECRAEIHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(2)8-14-4-3-5-17(9-14)21-18-7-6-15(11-19)16(10-18)12-20/h6-7,10,13-14,17,21H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile?
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 281.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).