1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one

C14H27NO — CID 79074670

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H27NO/c1-5-6-9-13(16)14(15(3)4)10-7-8-12(2)11-14/h12H,5-11H2,1-4H3
InChIKeyMZANGMPXQZKRSU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds5

About 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one

1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one (PubChem CID 79074670) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
PubChem CID79074670
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H27NO/c1-5-6-9-13(16)14(15(3)4)10-7-8-12(2)11-14/h12H,5-11H2,1-4H3
InChIKeyMZANGMPXQZKRSU-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672
1-[butyl(methyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988439
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
CID 79074454
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
1-[1-(dimethylamino)-4-methylcyclohexyl]-4-ethylsulfonylbutan-1-one
CID 79066171
[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
CID 79074600
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one (CID 79074670) is 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one is CCCCC(=O)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one?
The InChIKey is MZANGMPXQZKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-9-13(16)14(15(3)4)10-7-8-12(2)11-14/h12H,5-11H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one?
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one is sourced from PubChem (CID 79074670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).