(2R)-2-(diethylamino)-4-methylhexan-3-one

C11H23NO — CID 130410399

IUPAC(2R)-2-(diethylamino)-4-methylhexan-3-one
SMILESCCC(C)C(=O)[C@@H](C)N(CC)CC
InChIInChI=1S/C11H23NO/c1-6-9(4)11(13)10(5)12(7-2)8-3/h9-10H,6-8H2,1-5H3/t9?,10-/m1/s1
InChIKeyPNDUQYXATZGXDJ-QVDQXJPCSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-(diethylamino)-4-methylhexan-3-one

(2R)-2-(diethylamino)-4-methylhexan-3-one (PubChem CID 130410399) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-4-methylhexan-3-one.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-4-methylhexan-3-one
PubChem CID130410399
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-2-(diethylamino)-4-methylhexan-3-one
SMILESCCC(C)C(=O)[C@@H](C)N(CC)CC
InChIInChI=1S/C11H23NO/c1-6-9(4)11(13)10(5)12(7-2)8-3/h9-10H,6-8H2,1-5H3/t9?,10-/m1/s1
InChIKeyPNDUQYXATZGXDJ-QVDQXJPCSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(diethylamino)-4-methylhexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-4-methylhexan-3-one?
The IUPAC name of (2R)-2-(diethylamino)-4-methylhexan-3-one (CID 130410399) is (2R)-2-(diethylamino)-4-methylhexan-3-one.
What is the SMILES notation for (2R)-2-(diethylamino)-4-methylhexan-3-one?
The canonical SMILES for (2R)-2-(diethylamino)-4-methylhexan-3-one is CCC(C)C(=O)[C@@H](C)N(CC)CC.
What is the InChIKey of (2R)-2-(diethylamino)-4-methylhexan-3-one?
The InChIKey is PNDUQYXATZGXDJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9(4)11(13)10(5)12(7-2)8-3/h9-10H,6-8H2,1-5H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-4-methylhexan-3-one?
(2R)-2-(diethylamino)-4-methylhexan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-4-methylhexan-3-one is sourced from PubChem (CID 130410399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).