1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one

C13H25NO — CID 116923569

IUPAC1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12(9-14-3)13(15)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyAEIXDOFBPWFMIL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds5

About 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one

1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one (PubChem CID 116923569) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
PubChem CID116923569
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12(9-14-3)13(15)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyAEIXDOFBPWFMIL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
CID 116923575
1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
N-(cyclohexylmethyl)-3-methyl-2-(methylaminomethyl)butanamide
CID 115187727
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
CID 143362777
cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
CID 69262893
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one?
The IUPAC name of 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one (CID 116923569) is 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one?
The canonical SMILES for 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one is CNCC(C(=O)C1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one?
The InChIKey is AEIXDOFBPWFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(9-14-3)13(15)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one?
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one is sourced from PubChem (CID 116923569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).