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

C18H27NO — CID 79074378

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
SMILESCC1CCCC(C(=O)CCc2ccccc2)(N(C)C)C1
InChIInChI=1S/C18H27NO/c1-15-8-7-13-18(14-15,19(2)3)17(20)12-11-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3
InChIKeySLLREGBXOPDYGN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.70
Rot. Bonds5

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

1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one (PubChem CID 79074378) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
PubChem CID79074378
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
SMILESCC1CCCC(C(=O)CCc2ccccc2)(N(C)C)C1
InChIInChI=1S/C18H27NO/c1-15-8-7-13-18(14-15,19(2)3)17(20)12-11-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3
InChIKeySLLREGBXOPDYGN-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006937
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
CID 79074454

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one (CID 79074378) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one is CC1CCCC(C(=O)CCc2ccccc2)(N(C)C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one?
The InChIKey is SLLREGBXOPDYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-8-7-13-18(14-15,19(2)3)17(20)12-11-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one?
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.70, 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]-3-phenylpropan-1-one is sourced from PubChem (CID 79074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).