1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine

C10H19FN2 — CID 130921411

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CCC=C(F)C1
InChIInChI=1S/C10H19FN2/c1-3-10(2,12)8-13-6-4-5-9(11)7-13/h5H,3-4,6-8,12H2,1-2H3
InChIKeyVXDGUHHOELSZNN-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.67
Rot. Bonds3

About 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine (PubChem CID 130921411) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine
PubChem CID130921411
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CCC=C(F)C1
InChIInChI=1S/C10H19FN2/c1-3-10(2,12)8-13-6-4-5-9(11)7-13/h5H,3-4,6-8,12H2,1-2H3
InChIKeyVXDGUHHOELSZNN-UHFFFAOYSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine (CID 130921411) is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine is CCC(C)(N)CN1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine?
The InChIKey is VXDGUHHOELSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-3-10(2,12)8-13-6-4-5-9(11)7-13/h5H,3-4,6-8,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine?
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine has a molecular weight of 186.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 130921411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).