3-(diethylamino)-1-(oxan-4-yl)propan-1-one

C12H23NO2 — CID 79077701

IUPAC3-(diethylamino)-1-(oxan-4-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)8-5-12(14)11-6-9-15-10-7-11/h11H,3-10H2,1-2H3
InChIKeyPPBWQQCDTCSKGR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds6

About 3-(diethylamino)-1-(oxan-4-yl)propan-1-one

3-(diethylamino)-1-(oxan-4-yl)propan-1-one (PubChem CID 79077701) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(diethylamino)-1-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(oxan-4-yl)propan-1-one
PubChem CID79077701
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(diethylamino)-1-(oxan-4-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)8-5-12(14)11-6-9-15-10-7-11/h11H,3-10H2,1-2H3
InChIKeyPPBWQQCDTCSKGR-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)pentane-1,4-dione
CID 62387198
3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
2-[2-(diethylamino)ethylsulfanyl]-1-(oxolan-3-yl)ethanone
CID 104752314
2-bromo-1-(oxan-4-yl)ethanone
CID 13197225
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide
CID 129295904
1-(oxan-4-yl)hex-5-en-1-one
CID 65329267

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(oxan-4-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(oxan-4-yl)propan-1-one (CID 79077701) is 3-(diethylamino)-1-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(oxan-4-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(oxan-4-yl)propan-1-one is CCN(CC)CCC(=O)C1CCOCC1.
What is the InChIKey of 3-(diethylamino)-1-(oxan-4-yl)propan-1-one?
The InChIKey is PPBWQQCDTCSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(4-2)8-5-12(14)11-6-9-15-10-7-11/h11H,3-10H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(oxan-4-yl)propan-1-one?
3-(diethylamino)-1-(oxan-4-yl)propan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 79077701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).