1-cyclopentyl-2-(N,3-dimethylanilino)ethanone

C15H21NO — CID 104750297

IUPAC1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
SMILESCc1cccc(N(C)CC(=O)C2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-6-5-9-14(10-12)16(2)11-15(17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyZDOOUXNIZMENJB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds4

About 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone

1-cyclopentyl-2-(N,3-dimethylanilino)ethanone (PubChem CID 104750297) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
PubChem CID104750297
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
SMILESCc1cccc(N(C)CC(=O)C2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-6-5-9-14(10-12)16(2)11-15(17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyZDOOUXNIZMENJB-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
CID 104751405
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone?
The IUPAC name of 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone (CID 104750297) is 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone is Cc1cccc(N(C)CC(=O)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone?
The InChIKey is ZDOOUXNIZMENJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-6-5-9-14(10-12)16(2)11-15(17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone?
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(N,3-dimethylanilino)ethanone is sourced from PubChem (CID 104750297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).