2-methyl-3-octan-4-ylpyrazine

C13H22N2 — CID 144869525

IUPAC2-methyl-3-octan-4-ylpyrazine
SMILESCCCCC(CCC)c1nccnc1C
InChIInChI=1S/C13H22N2/c1-4-6-8-12(7-5-2)13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXKOHXEJTNHJUGS-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds6

About 2-methyl-3-octan-4-ylpyrazine

2-methyl-3-octan-4-ylpyrazine (PubChem CID 144869525) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-3-octan-4-ylpyrazine.

Molecular Properties

Compound Name2-methyl-3-octan-4-ylpyrazine
PubChem CID144869525
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-3-octan-4-ylpyrazine
SMILESCCCCC(CCC)c1nccnc1C
InChIInChI=1S/C13H22N2/c1-4-6-8-12(7-5-2)13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXKOHXEJTNHJUGS-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-octan-4-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
2-octan-4-ylpyridin-3-amine
CID 134178133
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
CID 102612956
3-heptan-3-ylpyrazine-2-carboxylic acid
CID 175963693
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
3-hexan-3-yl-2-methylpyridine
CID 143825062
3-(3-methylpyrazin-2-yl)butan-1-amine
CID 82596948
3-(3-methylpyrazin-2-yl)-N-propylbutan-2-amine
CID 83064469
CID 163737172
CID 163737172
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-octan-4-ylpyrazine?
The IUPAC name of 2-methyl-3-octan-4-ylpyrazine (CID 144869525) is 2-methyl-3-octan-4-ylpyrazine.
What is the SMILES notation for 2-methyl-3-octan-4-ylpyrazine?
The canonical SMILES for 2-methyl-3-octan-4-ylpyrazine is CCCCC(CCC)c1nccnc1C.
What is the InChIKey of 2-methyl-3-octan-4-ylpyrazine?
The InChIKey is XKOHXEJTNHJUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-8-12(7-5-2)13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-octan-4-ylpyrazine?
2-methyl-3-octan-4-ylpyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-octan-4-ylpyrazine is sourced from PubChem (CID 144869525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).