2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol

C13H23N3O — CID 79064252

IUPAC2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cnccn1
InChIInChI=1S/C13H23N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10,12,17H,5-7H2,1-4H3
InChIKeyDHYJXGFPLSHQOL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol

2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 79064252) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID79064252
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cnccn1
InChIInChI=1S/C13H23N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10,12,17H,5-7H2,1-4H3
InChIKeyDHYJXGFPLSHQOL-UHFFFAOYSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-ethyl-1-pyrazin-2-ylbutan-1-ol
CID 79062480
2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
CID 116752667
2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
CID 127002734
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-ol
CID 81209930
1-pyrazin-2-ylprop-2-yn-1-ol
CID 130171254
3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
CID 115921095
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79063613
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol (CID 79064252) is 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1cnccn1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is DHYJXGFPLSHQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10,12,17H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol?
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 79064252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).