1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one

C11H23NO2 — CID 58646992

IUPAC1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one
SMILESCC(C(=O)COCN(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(11(2,3)4)10(13)7-14-8-12(5)6/h9H,7-8H2,1-6H3
InChIKeyKDAIJURBNGMJGY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.77
Rot. Bonds5

About 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one

1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one (PubChem CID 58646992) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one.

Molecular Properties

Compound Name1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one
PubChem CID58646992
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one
SMILESCC(C(=O)COCN(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(11(2,3)4)10(13)7-14-8-12(5)6/h9H,7-8H2,1-6H3
InChIKeyKDAIJURBNGMJGY-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethoxy]-4,5,5-trimethylhexan-3-one
CID 58408951
4,5,5-trimethyl-3-oxohexanal
CID 151832903
[methyl(2,3,3-trimethylbutanoyloxy)amino] 2,3,3-trimethylbutanoate
CID 123135707
2,3,3-trimethylbutanoate
CID 18945621
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
N,N-dimethyl-2-(3-methyl-2-oxobutoxy)acetamide
CID 170609899
gadolinium;6,7,7-trimethyloctane-3,5-dione
CID 87359208
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one?
The IUPAC name of 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one (CID 58646992) is 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one.
What is the SMILES notation for 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one?
The canonical SMILES for 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one is CC(C(=O)COCN(C)C)C(C)(C)C.
What is the InChIKey of 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one?
The InChIKey is KDAIJURBNGMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(11(2,3)4)10(13)7-14-8-12(5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one?
1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methoxy]-3,4,4-trimethylpentan-2-one is sourced from PubChem (CID 58646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).