2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C13H26N2O — CID 77077441

IUPAC2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CCC(C)N(C(=O)C(N)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9-6-7-10(2)15(8-9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3
InChIKeyRUHFLVPBRLHRDL-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 77077441) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID77077441
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CCC(C)N(C(=O)C(N)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9-6-7-10(2)15(8-9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3
InChIKeyRUHFLVPBRLHRDL-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,5-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538153
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 79938834
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
CID 70860436
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2S)-1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-3,3-dimethylbutan-1-one
CID 119788119
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 77077441) is 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC1CCC(C)N(C(=O)C(N)C(C)(C)C)C1.
What is the InChIKey of 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is RUHFLVPBRLHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-6-7-10(2)15(8-9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3.
What are the key properties of 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 77077441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).