1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium

C16H30FN2+ — CID 163124685

IUPAC1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
SMILESCC1CCN2CC(C)[NH+](CC3CCCCC3F)C2C1
InChIInChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-5-3-4-6-15(14)17/h12-16H,3-11H2,1-2H3/p+1
InChIKeyOVBBPHMJRGGPHM-UHFFFAOYSA-O
MW269.43 g/mol
LogP1.86
Rot. Bonds2

About 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium

1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium (PubChem CID 163124685) has the molecular formula C16H30FN2+ and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium.

Molecular Properties

Compound Name1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
PubChem CID163124685
Molecular FormulaC16H30FN2+
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium
SMILESCC1CCN2CC(C)[NH+](CC3CCCCC3F)C2C1
InChIInChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-5-3-4-6-15(14)17/h12-16H,3-11H2,1-2H3/p+1
InChIKeyOVBBPHMJRGGPHM-UHFFFAOYSA-O
XLogP1.86
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium?
The IUPAC name of 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium (CID 163124685) is 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium.
What is the SMILES notation for 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium?
The canonical SMILES for 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium is CC1CCN2CC(C)[NH+](CC3CCCCC3F)C2C1.
What is the InChIKey of 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium?
The InChIKey is OVBBPHMJRGGPHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H29FN2/c1-12-7-8-18-10-13(2)19(16(18)9-12)11-14-5-3-4-6-15(14)17/h12-16H,3-11H2,1-2H3/p+1.
What are the key properties of 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium?
1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium has a molecular weight of 269.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-1-ium is sourced from PubChem (CID 163124685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).