N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine

C11H17FN2 — CID 104953314

IUPACN-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cncc(F)c1
InChIInChI=1S/C11H17FN2/c1-3-4-9(2)14-7-10-5-11(12)8-13-6-10/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyYIPRODWUGUZZLN-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.50
Rot. Bonds5

About N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine

N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine (PubChem CID 104953314) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
PubChem CID104953314
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cncc(F)c1
InChIInChI=1S/C11H17FN2/c1-3-4-9(2)14-7-10-5-11(12)8-13-6-10/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyYIPRODWUGUZZLN-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
2-N-[(5-fluoro-3-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113452860
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 104953801
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
N-(pyrimidin-5-ylmethyl)hexan-2-amine
CID 62759376
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine (CID 104953314) is N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine is CCCC(C)NCc1cncc(F)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine?
The InChIKey is YIPRODWUGUZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-4-9(2)14-7-10-5-11(12)8-13-6-10/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine?
N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine is sourced from PubChem (CID 104953314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).