(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone

C17H25NO — CID 113297061

IUPAC(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H25NO/c1-12-9-14(11-18-10-12)16(19)13-5-7-15(8-6-13)17(2,3)4/h9-11,13,15H,5-8H2,1-4H3
InChIKeyVCJLYYBOQIBJOI-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.43
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone

(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 113297061) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID113297061
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H25NO/c1-12-9-14(11-18-10-12)16(19)13-5-7-15(8-6-13)17(2,3)4/h9-11,13,15H,5-8H2,1-4H3
InChIKeyVCJLYYBOQIBJOI-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
(5-methyl-3-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950411
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 115375614
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
CID 116587515
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone (CID 113297061) is (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is VCJLYYBOQIBJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-14(11-18-10-12)16(19)13-5-7-15(8-6-13)17(2,3)4/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone?
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 259.39 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 113297061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).