2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one

C13H25NO2 — CID 107135929

IUPAC2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
SMILESCCC(CC)(C(=O)C1CCCOC1)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-13(6-2,14(3)4)12(15)11-8-7-9-16-10-11/h11H,5-10H2,1-4H3
InChIKeyPCZOXGXHDZHJDL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one

2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one (PubChem CID 107135929) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
PubChem CID107135929
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
SMILESCCC(CC)(C(=O)C1CCCOC1)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-13(6-2,14(3)4)12(15)11-8-7-9-16-10-11/h11H,5-10H2,1-4H3
InChIKeyPCZOXGXHDZHJDL-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
1-(oxan-3-yl)pentan-1-one
CID 65332332
(2-ethylcyclohexyl)-(oxan-3-yl)methanone
CID 65331736
(3R)-oxane-3-carboxylic acid
CID 42554318

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one (CID 107135929) is 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one is CCC(CC)(C(=O)C1CCCOC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one?
The InChIKey is PCZOXGXHDZHJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(6-2,14(3)4)12(15)11-8-7-9-16-10-11/h11H,5-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one?
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one is sourced from PubChem (CID 107135929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).