1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine

C12H22N2 — CID 150909920

IUPAC1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
SMILESCCC1=CN=C(CC)CN1[C@@H](C)CC
InChIInChI=1S/C12H22N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1
InChIKeyLBTRJTJAFNYQON-JTQLQIEISA-N
MW194.32 g/mol
LogP3.20
Rot. Bonds4

About 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine

1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine (PubChem CID 150909920) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
PubChem CID150909920
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
SMILESCCC1=CN=C(CC)CN1[C@@H](C)CC
InChIInChI=1S/C12H22N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1
InChIKeyLBTRJTJAFNYQON-JTQLQIEISA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-Trimethyl-6-propylpyrazine
CID 123522565
1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57168100
1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1,2,3,6-tetramethyl-2H-pyrazine
CID 67745664
1,2,3,5-tetramethyl-2H-pyrazine
CID 70381448
1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
2,3,5-trimethyl-1-prop-1-enyl-2H-pyrazine
CID 86055709
3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
CID 91163840
1,1,6-triethyl-2H-pyrazin-1-ium
CID 122697242
N-methyl-N-(2-methyliminopropyl)but-1-en-2-amine
CID 123450015
N-ethyl-N-methyl-3,4-dihydropyridin-5-amine
CID 126549665

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine?
The IUPAC name of 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine (CID 150909920) is 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine is CCC1=CN=C(CC)CN1[C@@H](C)CC.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine?
The InChIKey is LBTRJTJAFNYQON-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h8,10H,5-7,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine?
1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine has a molecular weight of 194.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine is sourced from PubChem (CID 150909920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).