3-(dimethylamino)-4-methoxy-5-methylhexan-2-one

C10H21NO2 — CID 58883186

IUPAC3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
SMILESCOC(C(C)C)C(C(C)=O)N(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(13-6)9(8(3)12)11(4)5/h7,9-10H,1-6H3
InChIKeyRWVKVPCZEKNCQC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds5

About 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one

3-(dimethylamino)-4-methoxy-5-methylhexan-2-one (PubChem CID 58883186) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
PubChem CID58883186
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
SMILESCOC(C(C)C)C(C(C)=O)N(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)10(13-6)9(8(3)12)11(4)5/h7,9-10H,1-6H3
InChIKeyRWVKVPCZEKNCQC-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one?
The IUPAC name of 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one (CID 58883186) is 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one.
What is the SMILES notation for 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one?
The canonical SMILES for 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one is COC(C(C)C)C(C(C)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one?
The InChIKey is RWVKVPCZEKNCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)10(13-6)9(8(3)12)11(4)5/h7,9-10H,1-6H3.
What are the key properties of 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one?
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methoxy-5-methylhexan-2-one is sourced from PubChem (CID 58883186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).