6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine

C27H44N4 — CID 139319450

IUPAC6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(C3CCCCCCCCC3)nc(NCCC3CCCCCCCC3)c2n1
InChIInChI=1S/C27H44N4/c1-2-8-12-16-24(17-13-9-3-1)25-22-31-21-20-29-27(31)26(30-25)28-19-18-23-14-10-6-4-5-7-11-15-23/h20-24H,1-19H2,(H,28,30)
InChIKeySSORFPVWZKDGBZ-UHFFFAOYSA-N
MW424.68 g/mol
LogP7.89
Rot. Bonds5

About 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine

6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 139319450) has the molecular formula C27H44N4 and a molecular weight of 424.68 g/mol. Its IUPAC name is 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID139319450
Molecular FormulaC27H44N4
Molecular Weight424.68 g/mol
Exact Mass424.36
IUPAC Name6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(C3CCCCCCCCC3)nc(NCCC3CCCCCCCC3)c2n1
InChIInChI=1S/C27H44N4/c1-2-8-12-16-24(17-13-9-3-1)25-22-31-21-20-29-27(31)26(30-25)28-19-18-23-14-10-6-4-5-7-11-15-23/h20-24H,1-19H2,(H,28,30)
InChIKeySSORFPVWZKDGBZ-UHFFFAOYSA-N
XLogP7.89
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.68
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine (CID 139319450) is 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(C3CCCCCCCCC3)nc(NCCC3CCCCCCCC3)c2n1.
What is the InChIKey of 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SSORFPVWZKDGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4/c1-2-8-12-16-24(17-13-9-3-1)25-22-31-21-20-29-27(31)26(30-25)28-19-18-23-14-10-6-4-5-7-11-15-23/h20-24H,1-19H2,(H,28,30).
What are the key properties of 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine?
6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 424.68 g/mol, XLogP of 7.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclodecyl-N-(2-cyclononylethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 139319450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).