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

C14H22N2O — CID 116566003

IUPAC3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccc(CC)cn1
InChIInChI=1S/C14H22N2O/c1-5-11-7-8-12(15-10-11)9-13(17)14(3,4)16-6-2/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyJYPDRQQREVLOTG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.14
Rot. Bonds6

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

3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one (PubChem CID 116566003) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
PubChem CID116566003
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccc(CC)cn1
InChIInChI=1S/C14H22N2O/c1-5-11-7-8-12(15-10-11)9-13(17)14(3,4)16-6-2/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyJYPDRQQREVLOTG-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 79745096
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746778
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
3-(ethylamino)-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116566073
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine
CID 114497923
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The IUPAC name of 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one (CID 116566003) is 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The canonical SMILES for 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one is CCNC(C)(C)C(=O)Cc1ccc(CC)cn1.
What is the InChIKey of 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
The InChIKey is JYPDRQQREVLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11-7-8-12(15-10-11)9-13(17)14(3,4)16-6-2/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one?
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one is sourced from PubChem (CID 116566003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).