2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

C14H25NO2 — CID 102646938

IUPAC2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO2/c1-5-14(4,15(6-2)7-3)13(16)12-10-8-9-11-17-12/h10H,5-9,11H2,1-4H3
InChIKeyXMFVQYHTNQUJFY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds6

About 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (PubChem CID 102646938) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
PubChem CID102646938
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO2/c1-5-14(4,15(6-2)7-3)13(16)12-10-8-9-11-17-12/h10H,5-9,11H2,1-4H3
InChIKeyXMFVQYHTNQUJFY-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
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-methyl-2-morpholin-4-ylpropan-1-one
CID 102646936
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
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
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 102646941
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
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102648335

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (CID 102646938) is 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)C1=CCCCO1.
What is the InChIKey of 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The InChIKey is XMFVQYHTNQUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-14(4,15(6-2)7-3)13(16)12-10-8-9-11-17-12/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).