(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one

C12H25NO — CID 59668998

IUPAC(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
SMILESCC[C@H](C(=O)C(C)(C)C)N(CC)CC
InChIInChI=1S/C12H25NO/c1-7-10(13(8-2)9-3)11(14)12(4,5)6/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyIYPQBHYUMJMBCZ-SNVBAGLBSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds5

About (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one

(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one (PubChem CID 59668998) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
PubChem CID59668998
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
SMILESCC[C@H](C(=O)C(C)(C)C)N(CC)CC
InChIInChI=1S/C12H25NO/c1-7-10(13(8-2)9-3)11(14)12(4,5)6/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyIYPQBHYUMJMBCZ-SNVBAGLBSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one?
The IUPAC name of (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one (CID 59668998) is (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one.
What is the SMILES notation for (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one?
The canonical SMILES for (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one is CC[C@H](C(=O)C(C)(C)C)N(CC)CC.
What is the InChIKey of (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one?
The InChIKey is IYPQBHYUMJMBCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-10(13(8-2)9-3)11(14)12(4,5)6/h10H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one?
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(diethylamino)-2,2-dimethylhexan-3-one is sourced from PubChem (CID 59668998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).