2-N-methyl-2-N-pentylpyrazine-2,5-diamine

C10H18N4 — CID 80653265

IUPAC2-N-methyl-2-N-pentylpyrazine-2,5-diamine
SMILESCCCCCN(C)c1cnc(N)cn1
InChIInChI=1S/C10H18N4/c1-3-4-5-6-14(2)10-8-12-9(11)7-13-10/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyQKIMTKZKSRFEDH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.69
Rot. Bonds5

About 2-N-methyl-2-N-pentylpyrazine-2,5-diamine

2-N-methyl-2-N-pentylpyrazine-2,5-diamine (PubChem CID 80653265) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentylpyrazine-2,5-diamine
PubChem CID80653265
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-methyl-2-N-pentylpyrazine-2,5-diamine
SMILESCCCCCN(C)c1cnc(N)cn1
InChIInChI=1S/C10H18N4/c1-3-4-5-6-14(2)10-8-12-9(11)7-13-10/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyQKIMTKZKSRFEDH-UHFFFAOYSA-N
XLogP1.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.69
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 2-N-methyl-2-N-pentylpyrazine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-pentylpyrazine-2,5-diamine (CID 80653265) is 2-N-methyl-2-N-pentylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentylpyrazine-2,5-diamine is CCCCCN(C)c1cnc(N)cn1.
What is the InChIKey of 2-N-methyl-2-N-pentylpyrazine-2,5-diamine?
The InChIKey is QKIMTKZKSRFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-4-5-6-14(2)10-8-12-9(11)7-13-10/h7-8H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 2-N-methyl-2-N-pentylpyrazine-2,5-diamine?
2-N-methyl-2-N-pentylpyrazine-2,5-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentylpyrazine-2,5-diamine is sourced from PubChem (CID 80653265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).