3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

C11H21FN2 — CID 130205318

IUPAC3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CCN2C(C1)NC(C(C)C)C2F
InChIInChI=1S/C11H21FN2/c1-7(2)10-11(12)14-5-4-8(3)6-9(14)13-10/h7-11,13H,4-6H2,1-3H3
InChIKeyHSROYROWYLLTSR-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.97
Rot. Bonds1

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

3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 130205318) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID130205318
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC1CCN2C(C1)NC(C(C)C)C2F
InChIInChI=1S/C11H21FN2/c1-7(2)10-11(12)14-5-4-8(3)6-9(14)13-10/h7-11,13H,4-6H2,1-3H3
InChIKeyHSROYROWYLLTSR-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 130205318) is 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CC1CCN2C(C1)NC(C(C)C)C2F.
What is the InChIKey of 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is HSROYROWYLLTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-7(2)10-11(12)14-5-4-8(3)6-9(14)13-10/h7-11,13H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 200.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 130205318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).