2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol

C12H21N3O — CID 79062480

IUPAC2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cnccn1)N(C)C
InChIInChI=1S/C12H21N3O/c1-5-12(6-2,15(3)4)11(16)10-9-13-7-8-14-10/h7-9,11,16H,5-6H2,1-4H3
InChIKeyDAJBITJGLVSHSW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.63
Rot. Bonds5

About 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol

2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 79062480) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID79062480
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cnccn1)N(C)C
InChIInChI=1S/C12H21N3O/c1-5-12(6-2,15(3)4)11(16)10-9-13-7-8-14-10/h7-9,11,16H,5-6H2,1-4H3
InChIKeyDAJBITJGLVSHSW-UHFFFAOYSA-N
XLogP1.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol (CID 79062480) is 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol is CCC(CC)(C(O)c1cnccn1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is DAJBITJGLVSHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-12(6-2,15(3)4)11(16)10-9-13-7-8-14-10/h7-9,11,16H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 79062480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).