1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone

C15H22N2O — CID 58040940

IUPAC1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
SMILESC[C@@H](N)C1CCC(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C15H22N2O/c1-11(16)13-2-4-14(5-3-13)15(18)10-12-6-8-17-9-7-12/h6-9,11,13-14H,2-5,10,16H2,1H3/t11-,13?,14?/m1/s1
InChIKeyYUUNTKBHVSSJHW-LMWSTFAQSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone

1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone (PubChem CID 58040940) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
PubChem CID58040940
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
SMILESC[C@@H](N)C1CCC(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C15H22N2O/c1-11(16)13-2-4-14(5-3-13)15(18)10-12-6-8-17-9-7-12/h6-9,11,13-14H,2-5,10,16H2,1H3/t11-,13?,14?/m1/s1
InChIKeyYUUNTKBHVSSJHW-LMWSTFAQSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone with MolForge

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Related Compounds

1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
2-pyridin-4-yl-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171945203
1-[4-(1-aminoethyl)cyclohexyl]-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethanone
CID 178185518
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-[2-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethanone
CID 178185539
3-[4-[4-(1-aminoethyl)cyclohexanecarbonyl]phenyl]propanoic acid
CID 70522794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone (CID 58040940) is 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone is C[C@@H](N)C1CCC(C(=O)Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone?
The InChIKey is YUUNTKBHVSSJHW-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(16)13-2-4-14(5-3-13)15(18)10-12-6-8-17-9-7-12/h6-9,11,13-14H,2-5,10,16H2,1H3/t11-,13?,14?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone?
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 58040940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).