3,6-dimethyl-N-octan-2-ylpyrazin-2-amine

C14H25N3 — CID 65417975

IUPAC3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
SMILESCCCCCCC(C)Nc1nc(C)cnc1C
InChIInChI=1S/C14H25N3/c1-5-6-7-8-9-11(2)16-14-13(4)15-10-12(3)17-14/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyPPKZSILBHZBNMA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.86
Rot. Bonds7

About 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine

3,6-dimethyl-N-octan-2-ylpyrazin-2-amine (PubChem CID 65417975) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
PubChem CID65417975
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
SMILESCCCCCCC(C)Nc1nc(C)cnc1C
InChIInChI=1S/C14H25N3/c1-5-6-7-8-9-11(2)16-14-13(4)15-10-12(3)17-14/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyPPKZSILBHZBNMA-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
CID 114138448
2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
CID 65417320
N-heptan-2-yl-5,6-dimethylpyrazin-2-amine
CID 114475537
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
2-N-(3,6-dimethylpyrazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937408
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
5-iodo-N-octan-2-ylpyrimidin-4-amine
CID 66340775
N,N-dihexyl-3,6-dimethylpyrazin-2-amine
CID 518224

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine (CID 65417975) is 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine is CCCCCCC(C)Nc1nc(C)cnc1C.
What is the InChIKey of 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine?
The InChIKey is PPKZSILBHZBNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-7-8-9-11(2)16-14-13(4)15-10-12(3)17-14/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine?
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-octan-2-ylpyrazin-2-amine is sourced from PubChem (CID 65417975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).