1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone

C15H22N2O — CID 113448877

IUPAC1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)C1CCCC1)Cc1ccccn1
InChIInChI=1S/C15H22N2O/c1-2-17(11-14-9-5-6-10-16-14)12-15(18)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyJWMZIRQFRDFBFB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds6

About 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone

1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 113448877) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
PubChem CID113448877
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)C1CCCC1)Cc1ccccn1
InChIInChI=1S/C15H22N2O/c1-2-17(11-14-9-5-6-10-16-14)12-15(18)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyJWMZIRQFRDFBFB-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
CID 10344552
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone (CID 113448877) is 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone is CCN(CC(=O)C1CCCC1)Cc1ccccn1.
What is the InChIKey of 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone?
The InChIKey is JWMZIRQFRDFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17(11-14-9-5-6-10-16-14)12-15(18)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone?
1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 113448877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).