2-(dimethylamino)-1-(oxan-4-yl)ethanone

C9H17NO2 — CID 79077529

IUPAC2-(dimethylamino)-1-(oxan-4-yl)ethanone
SMILESCN(C)CC(=O)C1CCOCC1
InChIInChI=1S/C9H17NO2/c1-10(2)7-9(11)8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyAJBAEYOVUVPCFA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds3

About 2-(dimethylamino)-1-(oxan-4-yl)ethanone

2-(dimethylamino)-1-(oxan-4-yl)ethanone (PubChem CID 79077529) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(oxan-4-yl)ethanone
PubChem CID79077529
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(dimethylamino)-1-(oxan-4-yl)ethanone
SMILESCN(C)CC(=O)C1CCOCC1
InChIInChI=1S/C9H17NO2/c1-10(2)7-9(11)8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyAJBAEYOVUVPCFA-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
2-bromo-1-(oxan-4-yl)ethanone
CID 13197225
1-(oxan-4-yl)pentane-1,4-dione
CID 62387198
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
1-(azetidin-3-yl)-2-(dimethylamino)ethanone
CID 115007087
3-(diethylamino)-1-(oxan-4-yl)propan-1-one
CID 79077701
2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750663
N-methyloxane-4-carbohydrazide
CID 116845691
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(oxan-4-yl)ethanone (CID 79077529) is 2-(dimethylamino)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(oxan-4-yl)ethanone is CN(C)CC(=O)C1CCOCC1.
What is the InChIKey of 2-(dimethylamino)-1-(oxan-4-yl)ethanone?
The InChIKey is AJBAEYOVUVPCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)7-9(11)8-3-5-12-6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(oxan-4-yl)ethanone?
2-(dimethylamino)-1-(oxan-4-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 79077529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).