2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one

C12H24N2O — CID 62930579

IUPAC2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(13)11(15)14-7-5-12(3,4)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyXUNLFXIAJIFDAH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one

2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 62930579) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID62930579
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(13)11(15)14-7-5-12(3,4)6-8-14/h9-10H,5-8,13H2,1-4H3
InChIKeyXUNLFXIAJIFDAH-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 97174792
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 175627364

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one (CID 62930579) is 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is XUNLFXIAJIFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(13)11(15)14-7-5-12(3,4)6-8-14/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 62930579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).