N,N-dihexyl-3,6-dimethylpyrazin-2-amine

C18H33N3 — CID 518224

IUPACN,N-dihexyl-3,6-dimethylpyrazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(C)cnc1C
InChIInChI=1S/C18H33N3/c1-5-7-9-11-13-21(14-12-10-8-6-2)18-17(4)19-15-16(3)20-18/h15H,5-14H2,1-4H3
InChIKeyJVJBAKXUBKDZNQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.06
Rot. Bonds11

About N,N-dihexyl-3,6-dimethylpyrazin-2-amine

N,N-dihexyl-3,6-dimethylpyrazin-2-amine (PubChem CID 518224) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-dihexyl-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN,N-dihexyl-3,6-dimethylpyrazin-2-amine
PubChem CID518224
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N-dihexyl-3,6-dimethylpyrazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(C)cnc1C
InChIInChI=1S/C18H33N3/c1-5-7-9-11-13-21(14-12-10-8-6-2)18-17(4)19-15-16(3)20-18/h15H,5-14H2,1-4H3
InChIKeyJVJBAKXUBKDZNQ-UHFFFAOYSA-N
XLogP5.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N,N-dihexyl-3,6-dimethylpyrazin-2-amine (CID 518224) is N,N-dihexyl-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N,N-dihexyl-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N,N-dihexyl-3,6-dimethylpyrazin-2-amine is CCCCCCN(CCCCCC)c1nc(C)cnc1C.
What is the InChIKey of N,N-dihexyl-3,6-dimethylpyrazin-2-amine?
The InChIKey is JVJBAKXUBKDZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-7-9-11-13-21(14-12-10-8-6-2)18-17(4)19-15-16(3)20-18/h15H,5-14H2,1-4H3.
What are the key properties of N,N-dihexyl-3,6-dimethylpyrazin-2-amine?
N,N-dihexyl-3,6-dimethylpyrazin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 518224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).