3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one

C11H23NO2 — CID 163606529

IUPAC3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one
SMILESCCC(C)(C)OCC(=O)C(C)(N)CC
InChIInChI=1S/C11H23NO2/c1-6-10(3,4)14-8-9(13)11(5,12)7-2/h6-8,12H2,1-5H3
InChIKeyHCHIRFSXPYVOAO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.89
Rot. Bonds6

About 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one

3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one (PubChem CID 163606529) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one
PubChem CID163606529
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one
SMILESCCC(C)(C)OCC(=O)C(C)(N)CC
InChIInChI=1S/C11H23NO2/c1-6-10(3,4)14-8-9(13)11(5,12)7-2/h6-8,12H2,1-5H3
InChIKeyHCHIRFSXPYVOAO-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one?
The IUPAC name of 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one (CID 163606529) is 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one is CCC(C)(C)OCC(=O)C(C)(N)CC.
What is the InChIKey of 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one?
The InChIKey is HCHIRFSXPYVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-10(3,4)14-8-9(13)11(5,12)7-2/h6-8,12H2,1-5H3.
What are the key properties of 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one?
3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one is sourced from PubChem (CID 163606529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).