(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one

C13H25NO — CID 155643546

IUPAC(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one
SMILESCN[C@@](C)(CCC1CCCCC1)C(C)=O
InChIInChI=1S/C13H25NO/c1-11(15)13(2,14-3)10-9-12-7-5-4-6-8-12/h12,14H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyKJXGEXCSCLHSOM-ZDUSSCGKSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds5

About (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one

(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one (PubChem CID 155643546) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one
PubChem CID155643546
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one
SMILESCN[C@@](C)(CCC1CCCCC1)C(C)=O
InChIInChI=1S/C13H25NO/c1-11(15)13(2,14-3)10-9-12-7-5-4-6-8-12/h12,14H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyKJXGEXCSCLHSOM-ZDUSSCGKSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-cyclohexyl-3-methyl-3-(methylamino)butan-2-one
CID 155643549
N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
N-(cyclohexylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62845802
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid
CID 67908054
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877

Frequently Asked Questions

What is the IUPAC name of (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one?
The IUPAC name of (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one (CID 155643546) is (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one.
What is the SMILES notation for (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one?
The canonical SMILES for (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one is CN[C@@](C)(CCC1CCCCC1)C(C)=O.
What is the InChIKey of (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one?
The InChIKey is KJXGEXCSCLHSOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(15)13(2,14-3)10-9-12-7-5-4-6-8-12/h12,14H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one?
(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one is sourced from PubChem (CID 155643546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).