6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

C13H26N2 — CID 71260707

IUPAC6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCCCC(CC)C1CCC2NCCN2C1
InChIInChI=1S/C13H26N2/c1-3-5-11(4-2)12-6-7-13-14-8-9-15(13)10-12/h11-14H,3-10H2,1-2H3
InChIKeyPRAWVQVVMNDUAZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.45
Rot. Bonds4

About 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 71260707) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID71260707
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCCCC(CC)C1CCC2NCCN2C1
InChIInChI=1S/C13H26N2/c1-3-5-11(4-2)12-6-7-13-14-8-9-15(13)10-12/h11-14H,3-10H2,1-2H3
InChIKeyPRAWVQVVMNDUAZ-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 71260707) is 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CCCC(CC)C1CCC2NCCN2C1.
What is the InChIKey of 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is PRAWVQVVMNDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-5-11(4-2)12-6-7-13-14-8-9-15(13)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 210.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 71260707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).