2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine

C14H24N2 — CID 142361503

IUPAC2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine
SMILESCCC(C)(C)Cc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2/c1-7-14(5,6)8-11-9-16-12(10-15-11)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyRZSTZFVRFCUJNL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.75
Rot. Bonds3

About 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine

2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine (PubChem CID 142361503) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine
PubChem CID142361503
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine
SMILESCCC(C)(C)Cc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2/c1-7-14(5,6)8-11-9-16-12(10-15-11)13(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyRZSTZFVRFCUJNL-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-(5,5-dimethylhexyl)pyrazine
CID 58205117
5-tert-butyl-N,N-diethylpyrazin-2-amine
CID 67967134
N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine
CID 167229246
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
6-(2,2-dimethylbutyl)-4-methylpyridine-3-carbonitrile
CID 134170715
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
2,5-ditert-butylpyridine;propane
CID 158805083
2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
CID 159165036
3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole
CID 155129451
2-tert-butyl-5-[(3R)-hex-4-yn-3-yl]oxypyrazine
CID 161405508
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
2-[5-(methoxymethyl)pyrazin-2-yl]propan-2-amine
CID 96628322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine (CID 142361503) is 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine is CCC(C)(C)Cc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine?
The InChIKey is RZSTZFVRFCUJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-14(5,6)8-11-9-16-12(10-15-11)13(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine?
2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine has a molecular weight of 220.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine is sourced from PubChem (CID 142361503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).