4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine

C10H17N3O — CID 62600621

IUPAC4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCCOC)c1cnccn1
InChIInChI=1S/C10H17N3O/c1-11-9(4-3-7-14-2)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyMSCLIYPUCJHYNE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.16
Rot. Bonds6

About 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine

4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 62600621) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID62600621
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCCOC)c1cnccn1
InChIInChI=1S/C10H17N3O/c1-11-9(4-3-7-14-2)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyMSCLIYPUCJHYNE-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine (CID 62600621) is 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine is CNC(CCCOC)c1cnccn1.
What is the InChIKey of 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is MSCLIYPUCJHYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-9(4-3-7-14-2)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine?
4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 62600621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).