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

C13H26N2 — CID 71260711

IUPAC7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCCCCCCC1CCN2CCNC2C1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-12-7-9-15-10-8-14-13(15)11-12/h12-14H,2-11H2,1H3
InChIKeyFSMNDTPKXDWMHG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.60
Rot. Bonds5

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

7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 71260711) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID71260711
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCCCCCCC1CCN2CCNC2C1
InChIInChI=1S/C13H26N2/c1-2-3-4-5-6-12-7-9-15-10-8-14-13(15)11-12/h12-14H,2-11H2,1H3
InChIKeyFSMNDTPKXDWMHG-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 71260711) is 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CCCCCCC1CCN2CCNC2C1.
What is the InChIKey of 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is FSMNDTPKXDWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-4-5-6-12-7-9-15-10-8-14-13(15)11-12/h12-14H,2-11H2,1H3.
What are the key properties of 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 210.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 71260711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).