1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone

C17H25NO — CID 115798988

IUPAC1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
SMILESCCCCC1CCC(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C17H25NO/c1-2-3-5-14-7-9-16(10-8-14)17(19)12-15-6-4-11-18-13-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3
InChIKeyZGAFCJYTLYIHLT-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone

1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone (PubChem CID 115798988) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
PubChem CID115798988
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
SMILESCCCCC1CCC(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C17H25NO/c1-2-3-5-14-7-9-16(10-8-14)17(19)12-15-6-4-11-18-13-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3
InChIKeyZGAFCJYTLYIHLT-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
CID 115799097
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 19117585
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone (CID 115798988) is 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone is CCCCC1CCC(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone?
The InChIKey is ZGAFCJYTLYIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-5-14-7-9-16(10-8-14)17(19)12-15-6-4-11-18-13-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone?
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone has a molecular weight of 259.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115798988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).