2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile

C13H16N2 — CID 62308325

IUPAC2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC2CC2(C)C)c1
InChIInChI=1S/C13H16N2/c1-9-4-5-10(8-14)11(6-9)15-12-7-13(12,2)3/h4-6,12,15H,7H2,1-3H3
InChIKeyOSWUBSSOEPJJOR-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.08
Rot. Bonds2

About 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile

2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile (PubChem CID 62308325) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile
PubChem CID62308325
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NC2CC2(C)C)c1
InChIInChI=1S/C13H16N2/c1-9-4-5-10(8-14)11(6-9)15-12-7-13(12,2)3/h4-6,12,15H,7H2,1-3H3
InChIKeyOSWUBSSOEPJJOR-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethylcyclopropyl)amino]-2,3-difluorobenzonitrile
CID 107933671
2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
CID 62307820
5-bromo-2-[(2,2-dimethylcyclopropyl)amino]benzonitrile
CID 114890613
4-methyl-2-(oxan-4-ylamino)benzonitrile
CID 62309333
4-methyl-2-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 55134635
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
CID 55135561
4-methyl-2-(pyrrolidin-3-ylamino)benzonitrile
CID 62381178
2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzenecarbothioamide
CID 62301266
2-(azepan-4-ylamino)-4-methylbenzonitrile
CID 107173825
4-bromo-2-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 114902013
4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide
CID 62308995
4-methyl-2-[(3-methylsulfanylcyclohexyl)amino]benzonitrile
CID 114123220

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile (CID 62308325) is 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile is Cc1ccc(C#N)c(NC2CC2(C)C)c1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile?
The InChIKey is OSWUBSSOEPJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-4-5-10(8-14)11(6-9)15-12-7-13(12,2)3/h4-6,12,15H,7H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile?
2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile has a molecular weight of 200.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 62308325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).