(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone

C15H21NO — CID 66273110

IUPAC(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21NO/c1-11-6-9-16-10-13(11)14(17)12-4-7-15(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyZPQOJUCLHWTHHC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.79
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone

(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 66273110) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
PubChem CID66273110
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21NO/c1-11-6-9-16-10-13(11)14(17)12-4-7-15(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyZPQOJUCLHWTHHC-UHFFFAOYSA-N
XLogP3.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
CID 122689327
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
CID 103450134
4-methylpyridine-3-carbonyl chloride
CID 22386188
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
(5,6-dimethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 103344915

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone (CID 66273110) is (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)C1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is ZPQOJUCLHWTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-9-16-10-13(11)14(17)12-4-7-15(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone?
(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 66273110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).