1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone

C14H20N2O — CID 116600244

IUPAC1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(CN)CCC2)nc1
InChIInChI=1S/C14H20N2O/c1-2-11-4-5-12(16-9-11)8-13(17)14(10-15)6-3-7-14/h4-5,9H,2-3,6-8,10,15H2,1H3
InChIKeyRLXYZEVGBNGPII-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.88
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone

1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 116600244) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID116600244
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(CN)CCC2)nc1
InChIInChI=1S/C14H20N2O/c1-2-11-4-5-12(16-9-11)8-13(17)14(10-15)6-3-7-14/h4-5,9H,2-3,6-8,10,15H2,1H3
InChIKeyRLXYZEVGBNGPII-UHFFFAOYSA-N
XLogP1.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569629
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone (CID 116600244) is 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)C2(CN)CCC2)nc1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is RLXYZEVGBNGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-4-5-12(16-9-11)8-13(17)14(10-15)6-3-7-14/h4-5,9H,2-3,6-8,10,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone?
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116600244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).