N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine

C13H23N3 — CID 22891615

IUPACN-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine
SMILESCC(C)CCCNc1cnc(C(C)C)cn1
InChIInChI=1S/C13H23N3/c1-10(2)6-5-7-14-13-9-15-12(8-16-13)11(3)4/h8-11H,5-7H2,1-4H3,(H,14,16)
InChIKeyJOPGWHVZTGKZJV-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.45
Rot. Bonds6

About N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine

N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine (PubChem CID 22891615) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine
PubChem CID22891615
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine
SMILESCC(C)CCCNc1cnc(C(C)C)cn1
InChIInChI=1S/C13H23N3/c1-10(2)6-5-7-14-13-9-15-12(8-16-13)11(3)4/h8-11H,5-7H2,1-4H3,(H,14,16)
InChIKeyJOPGWHVZTGKZJV-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine?
The IUPAC name of N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine (CID 22891615) is N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine?
The canonical SMILES for N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine is CC(C)CCCNc1cnc(C(C)C)cn1.
What is the InChIKey of N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine?
The InChIKey is JOPGWHVZTGKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)6-5-7-14-13-9-15-12(8-16-13)11(3)4/h8-11H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine?
N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 22891615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).