4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile

C14H15N3 — CID 107788162

IUPAC4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
SMILESCC1CCCC1Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-14(10)17-13-6-5-11(8-15)12(7-13)9-16/h5-7,10,14,17H,2-4H2,1H3
InChIKeyHKIGANVAPQADOQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.03
Rot. Bonds2

About 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile

4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile (PubChem CID 107788162) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
PubChem CID107788162
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
SMILESCC1CCCC1Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-14(10)17-13-6-5-11(8-15)12(7-13)9-16/h5-7,10,14,17H,2-4H2,1H3
InChIKeyHKIGANVAPQADOQ-UHFFFAOYSA-N
XLogP3.03
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 114001765
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
5-[(2,6-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 63476932
2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 81278621
2-chloro-3-methyl-4-[[(1R,2S)-2-methylcyclopentyl]amino]benzonitrile
CID 126752672
2-chloro-3-methyl-4-[[(1R)-2-methylcyclopentyl]amino]benzonitrile
CID 126752630
4-[(4-hydroxyoxolan-3-yl)amino]benzene-1,2-dicarbonitrile
CID 107789252
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-bromo-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 107276281
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile (CID 107788162) is 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile is CC1CCCC1Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is HKIGANVAPQADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-3-2-4-14(10)17-13-6-5-11(8-15)12(7-13)9-16/h5-7,10,14,17H,2-4H2,1H3.
What are the key properties of 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile?
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).