N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine

C12H18FN3 — CID 112585653

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
SMILESCCC(c1ccc(F)cn1)N(C)C1CNC1
InChIInChI=1S/C12H18FN3/c1-3-12(16(2)10-7-14-8-10)11-5-4-9(13)6-15-11/h4-6,10,12,14H,3,7-8H2,1-2H3
InChIKeyLPBQHBIKFHPAAC-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.58
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine (PubChem CID 112585653) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
PubChem CID112585653
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
SMILESCCC(c1ccc(F)cn1)N(C)C1CNC1
InChIInChI=1S/C12H18FN3/c1-3-12(16(2)10-7-14-8-10)11-5-4-9(13)6-15-11/h4-6,10,12,14H,3,7-8H2,1-2H3
InChIKeyLPBQHBIKFHPAAC-UHFFFAOYSA-N
XLogP1.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine (CID 112585653) is N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine is CCC(c1ccc(F)cn1)N(C)C1CNC1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine?
The InChIKey is LPBQHBIKFHPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-3-12(16(2)10-7-14-8-10)11-5-4-9(13)6-15-11/h4-6,10,12,14H,3,7-8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine has a molecular weight of 223.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 112585653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).