2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one

C15H21NO — CID 79570431

IUPAC2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
SMILESCc1cccc(N(C)CCC2CCCC2=O)c1
InChIInChI=1S/C15H21NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13H,4,6,8-10H2,1-2H3
InChIKeyCHPIXAUYGDDRCV-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one

2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one (PubChem CID 79570431) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
PubChem CID79570431
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
SMILESCc1cccc(N(C)CCC2CCCC2=O)c1
InChIInChI=1S/C15H21NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13H,4,6,8-10H2,1-2H3
InChIKeyCHPIXAUYGDDRCV-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

Analyze 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
CID 62611884
1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 79577406
2-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 15472354
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571424
2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one
CID 79570131
3-[N-[2-(2-oxocyclopentyl)ethyl]anilino]propanenitrile
CID 79569757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one (CID 79570431) is 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one is Cc1cccc(N(C)CCC2CCCC2=O)c1.
What is the InChIKey of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one?
The InChIKey is CHPIXAUYGDDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13H,4,6,8-10H2,1-2H3.
What are the key properties of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one?
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one 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 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).