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

C13H26N2O — CID 114593024

IUPAC3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)C(C)N)C1
InChIInChI=1S/C13H26N2O/c1-8-6-9(2)12(5)15(7-8)13(16)10(3)11(4)14/h8-12H,6-7,14H2,1-5H3
InChIKeyFDVXIGHRXWUUMV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.86
Rot. Bonds2

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

3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (PubChem CID 114593024) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
PubChem CID114593024
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)C(C)N)C1
InChIInChI=1S/C13H26N2O/c1-8-6-9(2)12(5)15(7-8)13(16)10(3)11(4)14/h8-12H,6-7,14H2,1-5H3
InChIKeyFDVXIGHRXWUUMV-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (CID 114593024) is 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is CC1CC(C)C(C)N(C(=O)C(C)C(C)N)C1.
What is the InChIKey of 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The InChIKey is FDVXIGHRXWUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-8-6-9(2)12(5)15(7-8)13(16)10(3)11(4)14/h8-12H,6-7,14H2,1-5H3.
What are the key properties of 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
3-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, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 114593024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).