4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one

C13H25NO — CID 114762129

IUPAC4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)CC(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-10(2)9-11(3)14(4)12-5-7-13(15)8-6-12/h10-12H,5-9H2,1-4H3
InChIKeyZPXHRWBBKWGEKU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.86
Rot. Bonds4

About 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one

4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one (PubChem CID 114762129) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
PubChem CID114762129
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)CC(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-10(2)9-11(3)14(4)12-5-7-13(15)8-6-12/h10-12H,5-9H2,1-4H3
InChIKeyZPXHRWBBKWGEKU-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 114762043
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
4-[but-3-en-2-yl(methyl)amino]cyclohexan-1-one
CID 79120022
4-[1-(dimethylamino)-3-methylbutyl]cyclohexan-1-one
CID 116911229
4-(2,6-diethyl-N-methylanilino)cyclohexan-1-one
CID 117029675
N-methyl-N-(4-methylpentan-2-yl)azetidin-3-amine
CID 62784615
N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120565
4-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
CID 114762136
4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
CID 82927370
N,5-dimethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 115373442
4-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-one
CID 114762231

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one (CID 114762129) is 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one is CC(C)CC(C)N(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one?
The InChIKey is ZPXHRWBBKWGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)9-11(3)14(4)12-5-7-13(15)8-6-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one?
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 114762129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).