2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile

C16H22N2 — CID 107927565

IUPAC2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCCC1CCC(Nc2ccc(C)cc2C#N)C1C
InChIInChI=1S/C16H22N2/c1-4-13-6-8-15(12(13)3)18-16-7-5-11(2)9-14(16)10-17/h5,7,9,12-13,15,18H,4,6,8H2,1-3H3
InChIKeyZIDYXQGNWAZWOK-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.10
Rot. Bonds3

About 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile

2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile (PubChem CID 107927565) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
PubChem CID107927565
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
SMILESCCC1CCC(Nc2ccc(C)cc2C#N)C1C
InChIInChI=1S/C16H22N2/c1-4-13-6-8-15(12(13)3)18-16-7-5-11(2)9-14(16)10-17/h5,7,9,12-13,15,18H,4,6,8H2,1-3H3
InChIKeyZIDYXQGNWAZWOK-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile (CID 107927565) is 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile is CCC1CCC(Nc2ccc(C)cc2C#N)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile?
The InChIKey is ZIDYXQGNWAZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-13-6-8-15(12(13)3)18-16-7-5-11(2)9-14(16)10-17/h5,7,9,12-13,15,18H,4,6,8H2,1-3H3.
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile?
2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile has a molecular weight of 242.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 107927565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).