N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine

C11H15FN2 — CID 79592510

IUPACN-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine
SMILESCCNCCC=Cc1cncc(F)c1
InChIInChI=1S/C11H15FN2/c1-2-13-6-4-3-5-10-7-11(12)9-14-8-10/h3,5,7-9,13H,2,4,6H2,1H3
InChIKeyTZKVPNKMGFAXFV-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine

N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine (PubChem CID 79592510) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine
PubChem CID79592510
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine
SMILESCCNCCC=Cc1cncc(F)c1
InChIInChI=1S/C11H15FN2/c1-2-13-6-4-3-5-10-7-11(12)9-14-8-10/h3,5,7-9,13H,2,4,6H2,1H3
InChIKeyTZKVPNKMGFAXFV-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
4-(5-fluoro-3-pyridinyl)but-3-enenitrile
CID 170799127
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948
N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
N-ethyl-4-isoquinolin-4-ylbut-3-en-1-amine
CID 79593389
(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546326
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 79739424
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine (CID 79592510) is N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine is CCNCCC=Cc1cncc(F)c1.
What is the InChIKey of N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine?
The InChIKey is TZKVPNKMGFAXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-13-6-4-3-5-10-7-11(12)9-14-8-10/h3,5,7-9,13H,2,4,6H2,1H3.
What are the key properties of N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine?
N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine has a molecular weight of 194.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 79592510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).