1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one

C13H23NO2 — CID 102646941

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCCO1)N(C)C
InChIInChI=1S/C13H23NO2/c1-5-13(6-2,14(3)4)12(15)11-9-7-8-10-16-11/h9H,5-8,10H2,1-4H3
InChIKeyVFTYFQLAHKRMGW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one (PubChem CID 102646941) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
PubChem CID102646941
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)C1=CCCCO1)N(C)C
InChIInChI=1S/C13H23NO2/c1-5-13(6-2,14(3)4)12(15)11-9-7-8-10-16-11/h9H,5-8,10H2,1-4H3
InChIKeyVFTYFQLAHKRMGW-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102646932
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102646933
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 102646934
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102646935
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102646938
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 102646940
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-one
CID 102646942
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 102646944
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102648336

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one (CID 102646941) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one is CCC(CC)(C(=O)C1=CCCCO1)N(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
The InChIKey is VFTYFQLAHKRMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(6-2,14(3)4)12(15)11-9-7-8-10-16-11/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 102646941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).