4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one

C16H25NOS — CID 62612562

IUPAC4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)Cc2cccs2)C1
InChIInChI=1S/C16H25NOS/c1-3-13-7-8-16(18)14(10-13)11-17(4-2)12-15-6-5-9-19-15/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3
InChIKeyAOASOJPROHSKCH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.97
Rot. Bonds6

About 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one

4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62612562) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID62612562
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)Cc2cccs2)C1
InChIInChI=1S/C16H25NOS/c1-3-13-7-8-16(18)14(10-13)11-17(4-2)12-15-6-5-9-19-15/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3
InChIKeyAOASOJPROHSKCH-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774196

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 62612562) is 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(CC)Cc2cccs2)C1.
What is the InChIKey of 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is AOASOJPROHSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-13-7-8-16(18)14(10-13)11-17(4-2)12-15-6-5-9-19-15/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 279.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).