3-(dimethylamino)-1-(oxan-3-yl)propan-1-one

C10H19NO2 — CID 107135975

IUPAC3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-11(2)6-5-10(12)9-4-3-7-13-8-9/h9H,3-8H2,1-2H3
InChIKeyOZYIFZKBVICIGF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds4

About 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one

3-(dimethylamino)-1-(oxan-3-yl)propan-1-one (PubChem CID 107135975) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
PubChem CID107135975
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-11(2)6-5-10(12)9-4-3-7-13-8-9/h9H,3-8H2,1-2H3
InChIKeyOZYIFZKBVICIGF-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)pentan-1-one
CID 65332332
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
propyl 4-(oxan-3-yl)-4-oxobutanoate
CID 63738945
2-methyl-4-(oxan-3-yl)-4-oxobutanoic acid
CID 63738780
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
(3R)-oxane-3-carboxylic acid
CID 42554318
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
3-(dimethylamino)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 115345834

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one (CID 107135975) is 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one is CN(C)CCC(=O)C1CCCOC1.
What is the InChIKey of 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one?
The InChIKey is OZYIFZKBVICIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)6-5-10(12)9-4-3-7-13-8-9/h9H,3-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one?
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 107135975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).