1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone

C12H23NO — CID 104749946

IUPAC1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)13(3)9-12(14)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyKNVWJAYSKZAPEP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds4

About 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone

1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 104749946) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID104749946
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)13(3)9-12(14)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyKNVWJAYSKZAPEP-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 104750044
1-cyclohexyl-2-[cyclopentyl(2-methylpropyl)amino]ethanone
CID 104750965
1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 63914315
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
1-cyclohexyl-2-[ethyl(2-methylpropyl)amino]ethanone
CID 104750015
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 104750169
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone (CID 104749946) is 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is KNVWJAYSKZAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13(3)9-12(14)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone?
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 104749946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).