3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one

C16H26N2O — CID 79745096

IUPAC3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
SMILESCCc1ccc(CC(=O)C(C)(C)N(CC)CC)nc1
InChIInChI=1S/C16H26N2O/c1-6-13-9-10-14(17-12-13)11-15(19)16(4,5)18(7-2)8-3/h9-10,12H,6-8,11H2,1-5H3
InChIKeyRJUDZPIYHZUHJA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds7

About 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one

3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one (PubChem CID 79745096) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
PubChem CID79745096
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
SMILESCCc1ccc(CC(=O)C(C)(C)N(CC)CC)nc1
InChIInChI=1S/C16H26N2O/c1-6-13-9-10-14(17-12-13)11-15(19)16(4,5)18(7-2)8-3/h9-10,12H,6-8,11H2,1-5H3
InChIKeyRJUDZPIYHZUHJA-UHFFFAOYSA-N
XLogP2.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746778
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
3-(diethylamino)-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 79054218
3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine
CID 79747933
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786172
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The IUPAC name of 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one (CID 79745096) is 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The canonical SMILES for 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one is CCc1ccc(CC(=O)C(C)(C)N(CC)CC)nc1.
What is the InChIKey of 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The InChIKey is RJUDZPIYHZUHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-13-9-10-14(17-12-13)11-15(19)16(4,5)18(7-2)8-3/h9-10,12H,6-8,11H2,1-5H3.
What are the key properties of 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one is sourced from PubChem (CID 79745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).