(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one

C10H21NO — CID 163846175

IUPAC(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one
SMILESCCC(=O)[C@@](C)(CC)N(C)CC
InChIInChI=1S/C10H21NO/c1-6-9(12)10(4,7-2)11(5)8-3/h6-8H2,1-5H3/t10-/m1/s1
InChIKeyOQJDCKMYMVACHH-SNVBAGLBSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds5

About (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one

(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one (PubChem CID 163846175) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one
PubChem CID163846175
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one
SMILESCCC(=O)[C@@](C)(CC)N(C)CC
InChIInChI=1S/C10H21NO/c1-6-9(12)10(4,7-2)11(5)8-3/h6-8H2,1-5H3/t10-/m1/s1
InChIKeyOQJDCKMYMVACHH-SNVBAGLBSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one?
The IUPAC name of (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one (CID 163846175) is (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one.
What is the SMILES notation for (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one?
The canonical SMILES for (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one is CCC(=O)[C@@](C)(CC)N(C)CC.
What is the InChIKey of (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one?
The InChIKey is OQJDCKMYMVACHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(12)10(4,7-2)11(5)8-3/h6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one?
(4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[ethyl(methyl)amino]-4-methylhexan-3-one is sourced from PubChem (CID 163846175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).