2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one

C11H17N3O — CID 116603866

IUPAC2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
SMILESCCC(CC)(CN)C(=O)c1cnccn1
InChIInChI=1S/C11H17N3O/c1-3-11(4-2,8-12)10(15)9-7-13-5-6-14-9/h5-7H,3-4,8,12H2,1-2H3
InChIKeyQOJXPCZGWNPECV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one

2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one (PubChem CID 116603866) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
PubChem CID116603866
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
SMILESCCC(CC)(CN)C(=O)c1cnccn1
InChIInChI=1S/C11H17N3O/c1-3-11(4-2,8-12)10(15)9-7-13-5-6-14-9/h5-7H,3-4,8,12H2,1-2H3
InChIKeyQOJXPCZGWNPECV-UHFFFAOYSA-N
XLogP1.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
CID 103447153
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119599671
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
N-tert-butylpyrazine-2-carbohydrazide
CID 23165237
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
1-pyrazin-2-ylhexan-1-one
CID 22507174

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one (CID 116603866) is 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one is CCC(CC)(CN)C(=O)c1cnccn1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one?
The InChIKey is QOJXPCZGWNPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-11(4-2,8-12)10(15)9-7-13-5-6-14-9/h5-7H,3-4,8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one?
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 116603866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).