1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

C13H25NO2 — CID 104750928

IUPAC1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESCN(CC(=O)C1CCCCC1)CC(C)(C)O
InChIInChI=1S/C13H25NO2/c1-13(2,16)10-14(3)9-12(15)11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3
InChIKeyVMCLDCYWUVEOBD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds5

About 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (PubChem CID 104750928) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
PubChem CID104750928
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESCN(CC(=O)C1CCCCC1)CC(C)(C)O
InChIInChI=1S/C13H25NO2/c1-13(2,16)10-14(3)9-12(15)11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3
InChIKeyVMCLDCYWUVEOBD-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
N-cyclohexyl-N-ethyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964516
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
CID 106916459
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 97051854
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
1-cyclohexyl-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 104750044

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (CID 104750928) is 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is CN(CC(=O)C1CCCCC1)CC(C)(C)O.
What is the InChIKey of 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The InChIKey is VMCLDCYWUVEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,16)10-14(3)9-12(15)11-7-5-4-6-8-11/h11,16H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone has a molecular weight of 227.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is sourced from PubChem (CID 104750928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).