3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one

C13H25NO — CID 79396284

IUPAC3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
SMILESCC1CCC(N(C)CC(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)13(15)9-14(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyIIBJJKQEIGWMQR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one

3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one (PubChem CID 79396284) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
PubChem CID79396284
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
SMILESCC1CCC(N(C)CC(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)13(15)9-14(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyIIBJJKQEIGWMQR-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
N-cyclopropyl-2-[methyl-(4-methylcyclohexyl)amino]-N-(2-methylpropyl)acetamide
CID 78896010
1-[[(1S,2S)-2-(dimethylamino)cyclohexyl]-methylamino]-3-methylbutan-2-one
CID 171418639
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
N-(2-aminoethyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 61438988
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912963
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one (CID 79396284) is 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one is CC1CCC(N(C)CC(=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one?
The InChIKey is IIBJJKQEIGWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)13(15)9-14(4)12-7-5-11(3)6-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one?
3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one is sourced from PubChem (CID 79396284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).