2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone

C15H21NO — CID 59019872

IUPAC2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
SMILESCNCC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)14(17)11-16-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZZGWLYGGTUVLBI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone

2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone (PubChem CID 59019872) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
PubChem CID59019872
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
SMILESCNCC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)14(17)11-16-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZZGWLYGGTUVLBI-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone (CID 59019872) is 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone is CNCC(=O)C1(c2ccc(C)cc2)CCCC1.
What is the InChIKey of 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
The InChIKey is ZZGWLYGGTUVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)14(17)11-16-2/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone?
2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone is sourced from PubChem (CID 59019872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).