2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one

C16H24N2O — CID 79865573

IUPAC2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
SMILESCN(CCc1ccncc1)CC1CCC(C)(C)C1=O
InChIInChI=1S/C16H24N2O/c1-16(2)8-4-14(15(16)19)12-18(3)11-7-13-5-9-17-10-6-13/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3
InChIKeyUGMWIBFKQCMAPO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.56
Rot. Bonds5

About 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one

2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one (PubChem CID 79865573) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
PubChem CID79865573
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
SMILESCN(CCc1ccncc1)CC1CCC(C)(C)C1=O
InChIInChI=1S/C16H24N2O/c1-16(2)8-4-14(15(16)19)12-18(3)11-7-13-5-9-17-10-6-13/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3
InChIKeyUGMWIBFKQCMAPO-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one with MolForge

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Related Compounds

5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
2,2-dimethyl-6-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79853439
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62426370

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one (CID 79865573) is 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one is CN(CCc1ccncc1)CC1CCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is UGMWIBFKQCMAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)8-4-14(15(16)19)12-18(3)11-7-13-5-9-17-10-6-13/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one?
2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 79865573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).