1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone

C18H27NO — CID 79075079

IUPAC1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15-8-10-16(11-9-15)14-17(20)18(19(2)3)12-6-4-5-7-13-18/h8-11H,4-7,12-14H2,1-3H3
InChIKeyIWCWAAIALIQLDQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone

1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone (PubChem CID 79075079) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
PubChem CID79075079
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15-8-10-16(11-9-15)14-17(20)18(19(2)3)12-6-4-5-7-13-18/h8-11H,4-7,12-14H2,1-3H3
InChIKeyIWCWAAIALIQLDQ-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 82920793
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
CID 116598490
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063235
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
methyl 1-[2-(4-methylphenyl)acetyl]cyclopropane-1-carboxylate
CID 147637134
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone (CID 79075079) is 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2(N(C)C)CCCCCC2)cc1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone?
The InChIKey is IWCWAAIALIQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-8-10-16(11-9-15)14-17(20)18(19(2)3)12-6-4-5-7-13-18/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone?
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone has a molecular weight of 273.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 79075079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).