N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine

C13H20FN3 — CID 114080634

IUPACN-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3/c1-3-17(13-4-5-15-9-13)10(2)11-6-12(14)8-16-7-11/h6-8,10,13,15H,3-5,9H2,1-2H3
InChIKeyDJSRYWAWJZBMJS-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.97
Rot. Bonds4

About N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine (PubChem CID 114080634) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
PubChem CID114080634
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3/c1-3-17(13-4-5-15-9-13)10(2)11-6-12(14)8-16-7-11/h6-8,10,13,15H,3-5,9H2,1-2H3
InChIKeyDJSRYWAWJZBMJS-UHFFFAOYSA-N
XLogP1.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine (CID 114080634) is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine is CCN(C1CCNC1)C(C)c1cncc(F)c1.
What is the InChIKey of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine?
The InChIKey is DJSRYWAWJZBMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-3-17(13-4-5-15-9-13)10(2)11-6-12(14)8-16-7-11/h6-8,10,13,15H,3-5,9H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine?
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine has a molecular weight of 237.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 114080634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).