[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone

C18H33NO — CID 79074454

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2(N(C)C)CCCC(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-5-15-8-10-16(11-9-15)17(20)18(19(3)4)12-6-7-14(2)13-18/h14-16H,5-13H2,1-4H3
InChIKeyHMRCVJOUDMLROS-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds4

About [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone

[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone (PubChem CID 79074454) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
PubChem CID79074454
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2(N(C)C)CCCC(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-5-15-8-10-16(11-9-15)17(20)18(19(3)4)12-6-7-14(2)13-18/h14-16H,5-13H2,1-4H3
InChIKeyHMRCVJOUDMLROS-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
CID 79074600
[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone
CID 79074780
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-[butyl(methyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988439
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone (CID 79074454) is [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2(N(C)C)CCCC(C)C2)CC1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone?
The InChIKey is HMRCVJOUDMLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-15-8-10-16(11-9-15)17(20)18(19(3)4)12-6-7-14(2)13-18/h14-16H,5-13H2,1-4H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone?
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone has a molecular weight of 279.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 79074454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).