1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one

C11H21NO3 — CID 158123664

IUPAC1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)COCC(=O)CCCN
InChIInChI=1S/C11H21NO3/c1-11(2,3)10(14)8-15-7-9(13)5-4-6-12/h4-8,12H2,1-3H3
InChIKeyFRXADFHCPHRQNP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.93
Rot. Bonds7

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

1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one (PubChem CID 158123664) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one
PubChem CID158123664
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)COCC(=O)CCCN
InChIInChI=1S/C11H21NO3/c1-11(2,3)10(14)8-15-7-9(13)5-4-6-12/h4-8,12H2,1-3H3
InChIKeyFRXADFHCPHRQNP-UHFFFAOYSA-N
XLogP0.93
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one (CID 158123664) is 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)COCC(=O)CCCN.
What is the InChIKey of 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one?
The InChIKey is FRXADFHCPHRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)10(14)8-15-7-9(13)5-4-6-12/h4-8,12H2,1-3H3.
What are the key properties of 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one?
1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one has a molecular weight of 215.29 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-oxopentoxy)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 158123664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).