N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine

C14H19FN2 — CID 113349092

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCCC1=CCCC1)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2/c1-11(14-7-6-13(15)10-17-14)16-9-8-12-4-2-3-5-12/h4,6-7,10-11,16H,2-3,5,8-9H2,1H3
InChIKeyXIKFPNURCKLUFS-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 113349092) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID113349092
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCCC1=CCCC1)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2/c1-11(14-7-6-13(15)10-17-14)16-9-8-12-4-2-3-5-12/h4,6-7,10-11,16H,2-3,5,8-9H2,1H3
InChIKeyXIKFPNURCKLUFS-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
2-Propylpyridine
CID 69320
Rivanicline
CID 5310967
2-Pentylpyridine
CID 16800
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523
(-)-Anatabine
CID 11388
2-Butylpyridine
CID 78750

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 113349092) is N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine is CC(NCCC1=CCCC1)c1ccc(F)cn1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is XIKFPNURCKLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-11(14-7-6-13(15)10-17-14)16-9-8-12-4-2-3-5-12/h4,6-7,10-11,16H,2-3,5,8-9H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 234.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 113349092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).