N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine

C16H21FN2 — CID 169203067

IUPACN-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine
SMILESCN(CCc1ccn2cccc(F)c12)C1CCCC1
InChIInChI=1S/C16H21FN2/c1-18(14-5-2-3-6-14)11-8-13-9-12-19-10-4-7-15(17)16(13)19/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyKLNJFJPTXGJXDE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine

N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine (PubChem CID 169203067) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine
PubChem CID169203067
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine
SMILESCN(CCc1ccn2cccc(F)c12)C1CCCC1
InChIInChI=1S/C16H21FN2/c1-18(14-5-2-3-6-14)11-8-13-9-12-19-10-4-7-15(17)16(13)19/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyKLNJFJPTXGJXDE-UHFFFAOYSA-N
XLogP3.50
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine (CID 169203067) is N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine is CN(CCc1ccn2cccc(F)c12)C1CCCC1.
What is the InChIKey of N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine?
The InChIKey is KLNJFJPTXGJXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-18(14-5-2-3-6-14)11-8-13-9-12-19-10-4-7-15(17)16(13)19/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3.
What are the key properties of N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine?
N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine has a molecular weight of 260.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 169203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).