2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine

C15H19FN2 — CID 63536640

IUPAC2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCC1CCCC1
InChIInChI=1S/C15H19FN2/c16-13-6-5-12-10-18(15(17)14(12)9-13)8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2/b17-15-
InChIKeyNOJNQQLFKSUHGU-ICFOKQHNSA-N
MW246.33 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine

2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 63536640) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID63536640
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCC1CCCC1
InChIInChI=1S/C15H19FN2/c16-13-6-5-12-10-18(15(17)14(12)9-13)8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2/b17-15-
InChIKeyNOJNQQLFKSUHGU-ICFOKQHNSA-N
XLogP3.55
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine
CID 63291570
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
6-fluoro-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3H-isoindol-1-imine
CID 55203061
N-[3-(5-fluoro-3-imino-1H-isoindol-2-yl)propyl]methanesulfonamide
CID 106337066
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 106033698
4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
CID 63291266
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide
CID 63291837
6-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3H-isoindol-1-imine
CID 106033688

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine (CID 63536640) is 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1CCC1CCCC1.
What is the InChIKey of 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is NOJNQQLFKSUHGU-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19FN2/c16-13-6-5-12-10-18(15(17)14(12)9-13)8-7-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2/b17-15-.
What are the key properties of 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine?
2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 246.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 63536640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).