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

C13H21FN2 — CID 81022234

IUPAC3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2/c1-10(2)16-6-5-13(3,4)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3
InChIKeyVJOYEFPKJCCGLS-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.89
Rot. Bonds5

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

3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81022234) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81022234
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cncc(F)c1
InChIInChI=1S/C13H21FN2/c1-10(2)16-6-5-13(3,4)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3
InChIKeyVJOYEFPKJCCGLS-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.89
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)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81022234) is 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1cncc(F)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VJOYEFPKJCCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)16-6-5-13(3,4)11-7-12(14)9-15-8-11/h7-10,16H,5-6H2,1-4H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(5-fluoro-3-pyridinyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 224.32 g/mol, XLogP of 2.89, 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)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81022234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).