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

C11H17FN2 — CID 115895270

IUPACN-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ncccc1F
InChIInChI=1S/C11H17FN2/c1-3-5-9(2)14-8-11-10(12)6-4-7-13-11/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyGJELONKURDOYAN-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.50
Rot. Bonds5

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

N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine (PubChem CID 115895270) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
PubChem CID115895270
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ncccc1F
InChIInChI=1S/C11H17FN2/c1-3-5-9(2)14-8-11-10(12)6-4-7-13-11/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyGJELONKURDOYAN-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine (CID 115895270) is N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine is CCCC(C)NCc1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine?
The InChIKey is GJELONKURDOYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-5-9(2)14-8-11-10(12)6-4-7-13-11/h4,6-7,9,14H,3,5,8H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine?
N-[(3-fluoro-2-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-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine is sourced from PubChem (CID 115895270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).