5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine

C15H26N4 — CID 103055861

IUPAC5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine
SMILESCCCCN(Cc1cnc(NCCC)cn1)C1CC1
InChIInChI=1S/C15H26N4/c1-3-5-9-19(14-6-7-14)12-13-10-18-15(11-17-13)16-8-4-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,18)
InChIKeyLGVIIBQUMJRXIH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.06
Rot. Bonds9

About 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine

5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine (PubChem CID 103055861) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine
PubChem CID103055861
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine
SMILESCCCCN(Cc1cnc(NCCC)cn1)C1CC1
InChIInChI=1S/C15H26N4/c1-3-5-9-19(14-6-7-14)12-13-10-18-15(11-17-13)16-8-4-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,18)
InChIKeyLGVIIBQUMJRXIH-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine (CID 103055861) is 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine is CCCCN(Cc1cnc(NCCC)cn1)C1CC1.
What is the InChIKey of 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine?
The InChIKey is LGVIIBQUMJRXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-5-9-19(14-6-7-14)12-13-10-18-15(11-17-13)16-8-4-2/h10-11,14H,3-9,12H2,1-2H3,(H,16,18).
What are the key properties of 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine?
5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103055861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).