2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile

C15H20N2 — CID 107927907

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCc1ccc(NC2CCC(C)(C)C2)c(C#N)c1
InChIInChI=1S/C15H20N2/c1-11-4-5-14(12(8-11)10-16)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyVVFGWSGLZMZWQW-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.86
Rot. Bonds2

About 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile

2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile (PubChem CID 107927907) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
PubChem CID107927907
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCc1ccc(NC2CCC(C)(C)C2)c(C#N)c1
InChIInChI=1S/C15H20N2/c1-11-4-5-14(12(8-11)10-16)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyVVFGWSGLZMZWQW-UHFFFAOYSA-N
XLogP3.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 107630695
5-bromo-2-[(4,4-dimethylcycloheptyl)amino]benzonitrile
CID 82708566
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 114543498
2-chloro-4-[(3,3-dimethylcyclopentyl)amino]benzonitrile
CID 80692757
5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 103965284
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
2-chloro-N-(3,3-dimethylcyclopentyl)-4-nitroaniline
CID 80706096
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464
2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile
CID 62308325
2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115880992
2-[(3,3-dimethylcyclopentyl)amino]-6-ethylsulfanylbenzonitrile
CID 114546570

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile (CID 107927907) is 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile is Cc1ccc(NC2CCC(C)(C)C2)c(C#N)c1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile?
The InChIKey is VVFGWSGLZMZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-4-5-14(12(8-11)10-16)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile?
2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 107927907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).