2-(3-methylnonan-3-yl)pyrazine

C14H24N2 — CID 139342316

IUPAC2-(3-methylnonan-3-yl)pyrazine
SMILESCCCCCCC(C)(CC)c1cnccn1
InChIInChI=1S/C14H24N2/c1-4-6-7-8-9-14(3,5-2)13-12-15-10-11-16-13/h10-12H,4-9H2,1-3H3
InChIKeyYKAIITDZKLJTBR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.11
Rot. Bonds7

About 2-(3-methylnonan-3-yl)pyrazine

2-(3-methylnonan-3-yl)pyrazine (PubChem CID 139342316) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(3-methylnonan-3-yl)pyrazine.

Molecular Properties

Compound Name2-(3-methylnonan-3-yl)pyrazine
PubChem CID139342316
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(3-methylnonan-3-yl)pyrazine
SMILESCCCCCCC(C)(CC)c1cnccn1
InChIInChI=1S/C14H24N2/c1-4-6-7-8-9-14(3,5-2)13-12-15-10-11-16-13/h10-12H,4-9H2,1-3H3
InChIKeyYKAIITDZKLJTBR-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylnonan-3-yl)pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylnonan-3-yl)pyrazine?
The IUPAC name of 2-(3-methylnonan-3-yl)pyrazine (CID 139342316) is 2-(3-methylnonan-3-yl)pyrazine.
What is the SMILES notation for 2-(3-methylnonan-3-yl)pyrazine?
The canonical SMILES for 2-(3-methylnonan-3-yl)pyrazine is CCCCCCC(C)(CC)c1cnccn1.
What is the InChIKey of 2-(3-methylnonan-3-yl)pyrazine?
The InChIKey is YKAIITDZKLJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-7-8-9-14(3,5-2)13-12-15-10-11-16-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(3-methylnonan-3-yl)pyrazine?
2-(3-methylnonan-3-yl)pyrazine has a molecular weight of 220.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylnonan-3-yl)pyrazine is sourced from PubChem (CID 139342316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).