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

C15H23NOS — CID 62612203

IUPAC4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2cccs2)C1
InChIInChI=1S/C15H23NOS/c1-3-12-6-7-15(17)13(9-12)10-16(2)11-14-5-4-8-18-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3
InChIKeyVJBUZBYENYYLKF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.58
Rot. Bonds5

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

4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62612203) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID62612203
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2cccs2)C1
InChIInChI=1S/C15H23NOS/c1-3-12-6-7-15(17)13(9-12)10-16(2)11-14-5-4-8-18-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3
InChIKeyVJBUZBYENYYLKF-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612064
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
CID 63484465
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 62612203) is 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)Cc2cccs2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is VJBUZBYENYYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-12-6-7-15(17)13(9-12)10-16(2)11-14-5-4-8-18-14/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).