2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine

C13H17FN2 — CID 104953880

IUPAC2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESFc1cncc(CNCCC2=CCCC2)c1
InChIInChI=1S/C13H17FN2/c14-13-7-12(9-16-10-13)8-15-6-5-11-3-1-2-4-11/h3,7,9-10,15H,1-2,4-6,8H2
InChIKeyOHGYCGSRJPKSRE-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.81
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 104953880) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID104953880
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESFc1cncc(CNCCC2=CCCC2)c1
InChIInChI=1S/C13H17FN2/c14-13-7-12(9-16-10-13)8-15-6-5-11-3-1-2-4-11/h3,7,9-10,15H,1-2,4-6,8H2
InChIKeyOHGYCGSRJPKSRE-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
2-(cyclopenten-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 103845310
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 18778647
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 104953880) is 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine is Fc1cncc(CNCCC2=CCCC2)c1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is OHGYCGSRJPKSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-13-7-12(9-16-10-13)8-15-6-5-11-3-1-2-4-11/h3,7,9-10,15H,1-2,4-6,8H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104953880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).