2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine

C12H22N4O — CID 113485176

IUPAC2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
SMILESCCCOc1cncc(NC(C)C(C)CN)n1
InChIInChI=1S/C12H22N4O/c1-4-5-17-12-8-14-7-11(16-12)15-10(3)9(2)6-13/h7-10H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyREYQPTHAXGNRNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds7

About 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine

2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine (PubChem CID 113485176) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
PubChem CID113485176
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
SMILESCCCOc1cncc(NC(C)C(C)CN)n1
InChIInChI=1S/C12H22N4O/c1-4-5-17-12-8-14-7-11(16-12)15-10(3)9(2)6-13/h7-10H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyREYQPTHAXGNRNX-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine (CID 113485176) is 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine is CCCOc1cncc(NC(C)C(C)CN)n1.
What is the InChIKey of 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The InChIKey is REYQPTHAXGNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-17-12-8-14-7-11(16-12)15-10(3)9(2)6-13/h7-10H,4-6,13H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 113485176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).