4-aminooxy-3,4-dimethyl-3-propylhexan-2-one

C11H23NO2 — CID 163766830

IUPAC4-aminooxy-3,4-dimethyl-3-propylhexan-2-one
SMILESCCCC(C)(C(C)=O)C(C)(CC)ON
InChIInChI=1S/C11H23NO2/c1-6-8-10(4,9(3)13)11(5,7-2)14-12/h6-8,12H2,1-5H3
InChIKeyMDAJAQVLXBANKO-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.44
Rot. Bonds6

About 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one

4-aminooxy-3,4-dimethyl-3-propylhexan-2-one (PubChem CID 163766830) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one.

Molecular Properties

Compound Name4-aminooxy-3,4-dimethyl-3-propylhexan-2-one
PubChem CID163766830
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-aminooxy-3,4-dimethyl-3-propylhexan-2-one
SMILESCCCC(C)(C(C)=O)C(C)(CC)ON
InChIInChI=1S/C11H23NO2/c1-6-8-10(4,9(3)13)11(5,7-2)14-12/h6-8,12H2,1-5H3
InChIKeyMDAJAQVLXBANKO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-methylhexan-2-one
CID 83225432
2-ethyl-2-methylpentanamide
CID 22376566
acetyloxymethyl 2-ethyl-2-methylpentanoate
CID 161331360
3-fluoro-3-methylhexan-2-one
CID 157210993
O-(3-methylhexan-3-yl)hydroxylamine
CID 163872522
methoxymethyl 2,3,3-trimethyl-2-propylpentanoate
CID 121480979
(2-methyl-2-propylpentyl) acetate
CID 89417633
4-amino-2,4-dimethylhept-1-en-3-one
CID 88989754
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-methoxy-3-methylheptan-2-one
CID 87290850
4-methylheptan-4-yl acetate
CID 58165665

Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one?
The IUPAC name of 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one (CID 163766830) is 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one.
What is the SMILES notation for 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one?
The canonical SMILES for 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one is CCCC(C)(C(C)=O)C(C)(CC)ON.
What is the InChIKey of 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one?
The InChIKey is MDAJAQVLXBANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-8-10(4,9(3)13)11(5,7-2)14-12/h6-8,12H2,1-5H3.
What are the key properties of 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one?
4-aminooxy-3,4-dimethyl-3-propylhexan-2-one has a molecular weight of 201.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-3,4-dimethyl-3-propylhexan-2-one is sourced from PubChem (CID 163766830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).