1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine

C15H24FN3 — CID 112583060

IUPAC1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3/c1-3-14(15-7-6-13(16)10-17-15)18-12(2)11-19-8-4-5-9-19/h6-7,10,12,14,18H,3-5,8-9,11H2,1-2H3
InChIKeyDAGIPHTWCDVNAI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.75
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine (PubChem CID 112583060) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
PubChem CID112583060
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3/c1-3-14(15-7-6-13(16)10-17-15)18-12(2)11-19-8-4-5-9-19/h6-7,10,12,14,18H,3-5,8-9,11H2,1-2H3
InChIKeyDAGIPHTWCDVNAI-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine (CID 112583060) is 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine is CCC(NC(C)CN1CCCC1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine?
The InChIKey is DAGIPHTWCDVNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-14(15-7-6-13(16)10-17-15)18-12(2)11-19-8-4-5-9-19/h6-7,10,12,14,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 112583060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).