N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine

C15H21BrN4 — CID 79175819

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
SMILESBrc1cn2c(CNC3CCCCCCC3)cnc2cn1
InChIInChI=1S/C15H21BrN4/c16-14-11-20-13(9-19-15(20)10-18-14)8-17-12-6-4-2-1-3-5-7-12/h9-12,17H,1-8H2
InChIKeyOEHMDGXQBUPPOM-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.69
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine (PubChem CID 79175819) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
PubChem CID79175819
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
SMILESBrc1cn2c(CNC3CCCCCCC3)cnc2cn1
InChIInChI=1S/C15H21BrN4/c16-14-11-20-13(9-19-15(20)10-18-14)8-17-12-6-4-2-1-3-5-7-12/h9-12,17H,1-8H2
InChIKeyOEHMDGXQBUPPOM-UHFFFAOYSA-N
XLogP3.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine (CID 79175819) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine is Brc1cn2c(CNC3CCCCCCC3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine?
The InChIKey is OEHMDGXQBUPPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c16-14-11-20-13(9-19-15(20)10-18-14)8-17-12-6-4-2-1-3-5-7-12/h9-12,17H,1-8H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine has a molecular weight of 337.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine is sourced from PubChem (CID 79175819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).