2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine

C15H28N4 — CID 106028710

IUPAC2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
SMILESCCCCC(CCC)Nc1cncc(NCCC)n1
InChIInChI=1S/C15H28N4/c1-4-7-9-13(8-5-2)18-15-12-16-11-14(19-15)17-10-6-3/h11-13H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyTXVKLTHPCGAZTL-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.07
Rot. Bonds10

About 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine

2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine (PubChem CID 106028710) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
PubChem CID106028710
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
SMILESCCCCC(CCC)Nc1cncc(NCCC)n1
InChIInChI=1S/C15H28N4/c1-4-7-9-13(8-5-2)18-15-12-16-11-14(19-15)17-10-6-3/h11-13H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyTXVKLTHPCGAZTL-UHFFFAOYSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine (CID 106028710) is 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine is CCCCC(CCC)Nc1cncc(NCCC)n1.
What is the InChIKey of 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine?
The InChIKey is TXVKLTHPCGAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-9-13(8-5-2)18-15-12-16-11-14(19-15)17-10-6-3/h11-13H,4-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine?
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 106028710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).