N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine

C13H21FN2 — CID 103460664

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2/c1-5-13(3,4)9-16-10(2)12-7-6-11(14)8-15-12/h6-8,10,16H,5,9H2,1-4H3
InChIKeyRUWUQHVTAAHZGI-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460664) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
PubChem CID103460664
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2/c1-5-13(3,4)9-16-10(2)12-7-6-11(14)8-15-12/h6-8,10,16H,5,9H2,1-4H3
InChIKeyRUWUQHVTAAHZGI-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 83118931
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine (CID 103460664) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNC(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine?
The InChIKey is RUWUQHVTAAHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-13(3,4)9-16-10(2)12-7-6-11(14)8-15-12/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine has a molecular weight of 224.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).