1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one

C17H27NO — CID 121446400

IUPAC1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1C=CC=CC1C1CCCCC1
InChIInChI=1S/C17H27NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8-9,12-15H,4-7,10-11H2,1-3H3
InChIKeyMDZIWBZBWSSUEH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one

1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one (PubChem CID 121446400) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one
PubChem CID121446400
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1C=CC=CC1C1CCCCC1
InChIInChI=1S/C17H27NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8-9,12-15H,4-7,10-11H2,1-3H3
InChIKeyMDZIWBZBWSSUEH-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 121446376
1-(2-cyclohexyl-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
CID 121446382
1-(6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
CID 132053078
1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
CID 146357156
6,6-dimethyl-2,3-di(propan-2-yl)-7,8-dihydro-5H-isoquinolin-1-one
CID 58796852
2-Cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
CID 70456900
N-(4-ethylcyclohexa-1,5-dien-1-yl)-N-(4-ethylcyclohex-3-en-1-yl)butanamide
CID 89771435
1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbut-3-en-1-one
CID 121446402
1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
CID 121446441
1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylbut-3-en-1-one
CID 121446442
1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-2,2-dimethylbut-3-en-1-one
CID 121446448
1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
CID 121446455

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one (CID 121446400) is 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1C=CC=CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one?
The InChIKey is MDZIWBZBWSSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(2,3)16(19)18-13-9-8-12-15(18)14-10-6-5-7-11-14/h8-9,12-15H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one?
1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one has a molecular weight of 261.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 121446400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).