1-(dimethylamino)-5-methoxy-5-methylhexan-2-one

C10H21NO2 — CID 103035375

IUPAC1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
SMILESCOC(C)(C)CCC(=O)CN(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,13-5)7-6-9(12)8-11(3)4/h6-8H2,1-5H3
InChIKeyVJSVPVQBZJQWBJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.32
Rot. Bonds6

About 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one

1-(dimethylamino)-5-methoxy-5-methylhexan-2-one (PubChem CID 103035375) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
PubChem CID103035375
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
SMILESCOC(C)(C)CCC(=O)CN(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,13-5)7-6-9(12)8-11(3)4/h6-8H2,1-5H3
InChIKeyVJSVPVQBZJQWBJ-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethoxy-7-methyloctan-4-one
CID 103035419
1-ethoxy-6-methoxy-6-methylheptan-3-one
CID 103024480
1-(dimethylamino)-5-methoxypentan-2-one
CID 114854087
1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one
CID 103024499
5-methoxy-5-methyl-1-(2-methylpropylsulfanyl)hexan-2-one
CID 103035331
methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate
CID 102977149
methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate
CID 102977071
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035349
8-methoxy-8-methylnonan-3-one
CID 103037503
3-hydroxy-7-methoxy-2,7-dimethyloctan-4-one
CID 103455135
3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
CID 103446930
2,5-dimethoxy-2,5-dimethylhexane
CID 552009

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one?
The IUPAC name of 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one (CID 103035375) is 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one.
What is the SMILES notation for 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one?
The canonical SMILES for 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one is COC(C)(C)CCC(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one?
The InChIKey is VJSVPVQBZJQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,13-5)7-6-9(12)8-11(3)4/h6-8H2,1-5H3.
What are the key properties of 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one?
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-5-methoxy-5-methylhexan-2-one is sourced from PubChem (CID 103035375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).