N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C14H22N4 — CID 65418838

IUPACN-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1cnc(C)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H22N4/c1-10-9-15-11(2)14(16-10)17-12-6-8-18-7-4-3-5-13(12)18/h9,12-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyXYXVFOCNHWIDDE-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.13
Rot. Bonds2

About N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 65418838) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID65418838
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1cnc(C)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C14H22N4/c1-10-9-15-11(2)14(16-10)17-12-6-8-18-7-4-3-5-13(12)18/h9,12-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyXYXVFOCNHWIDDE-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
N-(2,5-dichloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79632398
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyrimidine-4,6-diamine
CID 80807917
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
CID 63229307
N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methylpyrimidine-5-carbonitrile
CID 112755086
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 65418838) is N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Cc1cnc(C)c(NC2CCN3CCCCC23)n1.
What is the InChIKey of N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is XYXVFOCNHWIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-9-15-11(2)14(16-10)17-12-6-8-18-7-4-3-5-13(12)18/h9,12-13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 65418838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).