2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one

C12H24N2O — CID 79811127

IUPAC2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-5-12(4,13)10(15)14-8-6-7-11(2,3)9-14/h5-9,13H2,1-4H3
InChIKeyIUKREUDGXVDLME-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds2

About 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one

2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one (PubChem CID 79811127) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
PubChem CID79811127
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-5-12(4,13)10(15)14-8-6-7-11(2,3)9-14/h5-9,13H2,1-4H3
InChIKeyIUKREUDGXVDLME-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-2-methyl-1-thiomorpholin-4-ylbutan-1-one
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N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
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4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
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1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
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2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
CID 79349145
2-bromo-1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one (CID 79811127) is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one is CCC(C)(N)C(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The InChIKey is IUKREUDGXVDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(4,13)10(15)14-8-6-7-11(2,3)9-14/h5-9,13H2,1-4H3.
What are the key properties of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 79811127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).