N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine

C11H19N3S — CID 103778202

IUPACN-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cnc(C)cn1
InChIInChI=1S/C11H19N3S/c1-10-7-14-11(9-13-10)8-12-5-3-4-6-15-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyDMFPPNLWXUJSCM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.02
Rot. Bonds7

About N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine (PubChem CID 103778202) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine
PubChem CID103778202
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cnc(C)cn1
InChIInChI=1S/C11H19N3S/c1-10-7-14-11(9-13-10)8-12-5-3-4-6-15-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyDMFPPNLWXUJSCM-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.02
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 N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine (CID 103778202) is N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine is CSCCCCNCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is DMFPPNLWXUJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10-7-14-11(9-13-10)8-12-5-3-4-6-15-2/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103778202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).