5-amino-1-(3,3-dimethylbutyl)piperidin-2-one

C11H22N2O — CID 64977979

IUPAC5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
SMILESCC(C)(C)CCN1CC(N)CCC1=O
InChIInChI=1S/C11H22N2O/c1-11(2,3)6-7-13-8-9(12)4-5-10(13)14/h9H,4-8,12H2,1-3H3
InChIKeyLRRAXJLLXOKRPY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one

5-amino-1-(3,3-dimethylbutyl)piperidin-2-one (PubChem CID 64977979) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
PubChem CID64977979
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
SMILESCC(C)(C)CCN1CC(N)CCC1=O
InChIInChI=1S/C11H22N2O/c1-11(2,3)6-7-13-8-9(12)4-5-10(13)14/h9H,4-8,12H2,1-3H3
InChIKeyLRRAXJLLXOKRPY-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one?
The IUPAC name of 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one (CID 64977979) is 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one is CC(C)(C)CCN1CC(N)CCC1=O.
What is the InChIKey of 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one?
The InChIKey is LRRAXJLLXOKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)6-7-13-8-9(12)4-5-10(13)14/h9H,4-8,12H2,1-3H3.
What are the key properties of 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one?
5-amino-1-(3,3-dimethylbutyl)piperidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3-dimethylbutyl)piperidin-2-one is sourced from PubChem (CID 64977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).