N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine

C13H19FN2 — CID 105153078

IUPACN-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2/c1-3-5-6-7-13(16-4-2)11-8-12(14)10-15-9-11/h3,8-10,13,16H,1,4-7H2,2H3
InChIKeyCOKASGFCPLMKEO-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.23
Rot. Bonds7

About N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine

N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine (PubChem CID 105153078) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
PubChem CID105153078
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2/c1-3-5-6-7-13(16-4-2)11-8-12(14)10-15-9-11/h3,8-10,13,16H,1,4-7H2,2H3
InChIKeyCOKASGFCPLMKEO-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.23
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'}

Analyze N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine (CID 105153078) is N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine is C=CCCCC(NCC)c1cncc(F)c1.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine?
The InChIKey is COKASGFCPLMKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-5-6-7-13(16-4-2)11-8-12(14)10-15-9-11/h3,8-10,13,16H,1,4-7H2,2H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine?
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine has a molecular weight of 222.31 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine is sourced from PubChem (CID 105153078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).