3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile

C14H18N2 — CID 107106887

IUPAC3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
SMILESCc1cccc(C#N)c1NC1CCCC1C
InChIInChI=1S/C14H18N2/c1-10-5-4-8-13(10)16-14-11(2)6-3-7-12(14)9-15/h3,6-7,10,13,16H,4-5,8H2,1-2H3
InChIKeyTYBMJBFYLXGODS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.47
Rot. Bonds2

About 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile

3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile (PubChem CID 107106887) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
PubChem CID107106887
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
SMILESCc1cccc(C#N)c1NC1CCCC1C
InChIInChI=1S/C14H18N2/c1-10-5-4-8-13(10)16-14-11(2)6-3-7-12(14)9-15/h3,6-7,10,13,16H,4-5,8H2,1-2H3
InChIKeyTYBMJBFYLXGODS-UHFFFAOYSA-N
XLogP3.47
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylamino)-3-methylbenzonitrile
CID 107106808
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
3-methyl-2-[(3-methylcyclobutyl)amino]benzonitrile
CID 107107233
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methylbenzonitrile
CID 107106362
3-methyl-2-(piperidin-3-ylamino)benzonitrile
CID 107111395
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
2-[(1,1-dioxothian-4-yl)amino]-3-methylbenzonitrile
CID 107106517
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-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile?
The IUPAC name of 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile (CID 107106887) is 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile is Cc1cccc(C#N)c1NC1CCCC1C.
What is the InChIKey of 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile?
The InChIKey is TYBMJBFYLXGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-5-4-8-13(10)16-14-11(2)6-3-7-12(14)9-15/h3,6-7,10,13,16H,4-5,8H2,1-2H3.
What are the key properties of 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile?
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 107106887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).