4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one

C13H26N2O — CID 114593083

IUPAC4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)CCN)C1
InChIInChI=1S/C13H26N2O/c1-9-7-11(3)12(4)15(8-9)13(16)10(2)5-6-14/h9-12H,5-8,14H2,1-4H3
InChIKeyPVPUSLCTKXRBCR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.86
Rot. Bonds3

About 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one

4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (PubChem CID 114593083) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
PubChem CID114593083
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)CCN)C1
InChIInChI=1S/C13H26N2O/c1-9-7-11(3)12(4)15(8-9)13(16)10(2)5-6-14/h9-12H,5-8,14H2,1-4H3
InChIKeyPVPUSLCTKXRBCR-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593024
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
3-amino-4-oxo-4-(2,3,5-trimethylpiperidin-1-yl)butanoic acid
CID 114593012
2-methyl-3-oxo-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
CID 114593187
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (CID 114593083) is 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is CC1CC(C)C(C)N(C(=O)C(C)CCN)C1.
What is the InChIKey of 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The InChIKey is PVPUSLCTKXRBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-11(3)12(4)15(8-9)13(16)10(2)5-6-14/h9-12H,5-8,14H2,1-4H3.
What are the key properties of 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 114593083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).