1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone

C15H22N2O — CID 116550422

IUPAC1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(N)CCCCC2)nc1
InChIInChI=1S/C15H22N2O/c1-2-12-6-7-13(17-11-12)10-14(18)15(16)8-4-3-5-9-15/h6-7,11H,2-5,8-10,16H2,1H3
InChIKeyUATHPQPAMQEZQA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds4

About 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 116550422) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID116550422
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(N)CCCCC2)nc1
InChIInChI=1S/C15H22N2O/c1-2-12-6-7-13(17-11-12)10-14(18)15(16)8-4-3-5-9-15/h6-7,11H,2-5,8-10,16H2,1H3
InChIKeyUATHPQPAMQEZQA-UHFFFAOYSA-N
XLogP2.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 116550422) is 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)C2(N)CCCCC2)nc1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is UATHPQPAMQEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-6-7-13(17-11-12)10-14(18)15(16)8-4-3-5-9-15/h6-7,11H,2-5,8-10,16H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116550422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).