(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one

C11H23NO2 — CID 59470673

IUPAC(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one
SMILESCCN(CC)[C@H](COC)C(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(8-14-5)11(13)9(3)4/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyPPSCJGSGQUZDEB-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds7

About (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one

(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one (PubChem CID 59470673) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one
PubChem CID59470673
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one
SMILESCCN(CC)[C@H](COC)C(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)10(8-14-5)11(13)9(3)4/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyPPSCJGSGQUZDEB-SNVBAGLBSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one?
The IUPAC name of (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one (CID 59470673) is (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one.
What is the SMILES notation for (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one?
The canonical SMILES for (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one is CCN(CC)[C@H](COC)C(=O)C(C)C.
What is the InChIKey of (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one?
The InChIKey is PPSCJGSGQUZDEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)10(8-14-5)11(13)9(3)4/h9-10H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one?
(2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one has a molecular weight of 201.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-1-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 59470673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).