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

C12H24N2O — CID 115269305

IUPAC1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(N)C1(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)8-11(15)14-7-5-6-10(13)12(14,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyUVXQFWDKAOTADO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds2

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

1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 115269305) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID115269305
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(N)C1(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)8-11(15)14-7-5-6-10(13)12(14,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyUVXQFWDKAOTADO-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

1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131208761
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 61233677
1-(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-3-methylbutan-1-one
CID 82243712
(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115275915
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one
CID 127707871
(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275913
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one (CID 115269305) is 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCCC(N)C1(C)C.
What is the InChIKey of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is UVXQFWDKAOTADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)8-11(15)14-7-5-6-10(13)12(14,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-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 1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 115269305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).