N-(4-methylpentyl)pyrazin-2-amine

C10H17N3 — CID 60754575

IUPACN-(4-methylpentyl)pyrazin-2-amine
SMILESCC(C)CCCNc1cnccn1
InChIInChI=1S/C10H17N3/c1-9(2)4-3-5-12-10-8-11-6-7-13-10/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyHETIKPGJGXMRLN-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.32
Rot. Bonds5

About N-(4-methylpentyl)pyrazin-2-amine

N-(4-methylpentyl)pyrazin-2-amine (PubChem CID 60754575) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(4-methylpentyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)pyrazin-2-amine
PubChem CID60754575
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(4-methylpentyl)pyrazin-2-amine
SMILESCC(C)CCCNc1cnccn1
InChIInChI=1S/C10H17N3/c1-9(2)4-3-5-12-10-8-11-6-7-13-10/h6-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyHETIKPGJGXMRLN-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.32
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)pyrazin-2-amine?
The IUPAC name of N-(4-methylpentyl)pyrazin-2-amine (CID 60754575) is N-(4-methylpentyl)pyrazin-2-amine.
What is the SMILES notation for N-(4-methylpentyl)pyrazin-2-amine?
The canonical SMILES for N-(4-methylpentyl)pyrazin-2-amine is CC(C)CCCNc1cnccn1.
What is the InChIKey of N-(4-methylpentyl)pyrazin-2-amine?
The InChIKey is HETIKPGJGXMRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)4-3-5-12-10-8-11-6-7-13-10/h6-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methylpentyl)pyrazin-2-amine?
N-(4-methylpentyl)pyrazin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)pyrazin-2-amine is sourced from PubChem (CID 60754575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).