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

C10H21NO2 — CID 122592103

IUPAC(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one
SMILESCCN(CC)[C@H](CO)C(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)9(7-12)10(13)8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDTWNMINZEYBYLO-SECBINFHSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds6

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

(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one (PubChem CID 122592103) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one
PubChem CID122592103
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one
SMILESCCN(CC)[C@H](CO)C(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)9(7-12)10(13)8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDTWNMINZEYBYLO-SECBINFHSA-N
XLogP0.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one?
The IUPAC name of (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one (CID 122592103) is (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one.
What is the SMILES notation for (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one?
The canonical SMILES for (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one is CCN(CC)[C@H](CO)C(=O)C(C)C.
What is the InChIKey of (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one?
The InChIKey is DTWNMINZEYBYLO-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11(6-2)9(7-12)10(13)8(3)4/h8-9,12H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one?
(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one has a molecular weight of 187.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one is sourced from PubChem (CID 122592103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).