2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine

C14H22N4 — CID 83265432

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCN3CCCCC23)cc1N
InChIInChI=1S/C14H22N4/c1-10-9-16-14(8-11(10)15)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H3,15,16,17)
InChIKeyPHOOUDUZYABBLQ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.01
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine (PubChem CID 83265432) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
PubChem CID83265432
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCN3CCCCC23)cc1N
InChIInChI=1S/C14H22N4/c1-10-9-16-14(8-11(10)15)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H3,15,16,17)
InChIKeyPHOOUDUZYABBLQ-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine (CID 83265432) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine is Cc1cnc(NC2CCN3CCCCC23)cc1N.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine?
The InChIKey is PHOOUDUZYABBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-9-16-14(8-11(10)15)17-12-5-7-18-6-3-2-4-13(12)18/h8-9,12-13H,2-7H2,1H3,(H3,15,16,17).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).