3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine

C12H19FN2 — CID 81020324

IUPAC3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-5-4-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3
InChIKeyRNXJSDLVHMRZQE-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.71
Rot. Bonds5

About 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine

3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine (PubChem CID 81020324) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
PubChem CID81020324
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-5-4-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3
InChIKeyRNXJSDLVHMRZQE-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine (CID 81020324) is 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)c1cncc(F)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is RNXJSDLVHMRZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)15-5-4-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine?
3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81020324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).