N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine

C13H21FN2 — CID 115920023

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2/c1-5-6-13(3,4)16-10(2)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3
InChIKeyJRXTYPAQPYRLFL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.45
Rot. Bonds5

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine (PubChem CID 115920023) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
PubChem CID115920023
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2/c1-5-6-13(3,4)16-10(2)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3
InChIKeyJRXTYPAQPYRLFL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine (CID 115920023) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine is CCCC(C)(C)NC(C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine?
The InChIKey is JRXTYPAQPYRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-6-13(3,4)16-10(2)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine has a molecular weight of 224.32 g/mol, XLogP of 3.45, 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-3-pyridinyl)ethyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115920023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).