3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine

C12H19FN2 — CID 112585951

IUPAC3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
SMILESCCC(N)(CC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-4-12(14,7-9(2)3)11-6-5-10(13)8-15-11/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyGEJRRBYPQTXLPV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.83
Rot. Bonds4

About 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine

3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine (PubChem CID 112585951) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
PubChem CID112585951
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
SMILESCCC(N)(CC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-4-12(14,7-9(2)3)11-6-5-10(13)8-15-11/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyGEJRRBYPQTXLPV-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 115940871
1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112585959
1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586055
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
CID 130655519
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 115940840
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(5-fluoro-2-pyridinyl)-1-(4-methylcyclohexyl)propan-1-amine
CID 112585949
2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 115940798
4-ethyl-2-(5-fluoro-2-pyridinyl)octan-2-amine
CID 83125502
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine (CID 112585951) is 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine is CCC(N)(CC(C)C)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine?
The InChIKey is GEJRRBYPQTXLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-12(14,7-9(2)3)11-6-5-10(13)8-15-11/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine?
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine has a molecular weight of 210.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine is sourced from PubChem (CID 112585951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).