5-fluoro-N-(3-methylbutyl)pyridin-3-amine

C10H15FN2 — CID 126972918

IUPAC5-fluoro-N-(3-methylbutyl)pyridin-3-amine
SMILESCC(C)CCNc1cncc(F)c1
InChIInChI=1S/C10H15FN2/c1-8(2)3-4-13-10-5-9(11)6-12-7-10/h5-8,13H,3-4H2,1-2H3
InChIKeyWCZVFUGDDVHXJD-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.68
Rot. Bonds4

About 5-fluoro-N-(3-methylbutyl)pyridin-3-amine

5-fluoro-N-(3-methylbutyl)pyridin-3-amine (PubChem CID 126972918) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methylbutyl)pyridin-3-amine
PubChem CID126972918
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name5-fluoro-N-(3-methylbutyl)pyridin-3-amine
SMILESCC(C)CCNc1cncc(F)c1
InChIInChI=1S/C10H15FN2/c1-8(2)3-4-13-10-5-9(11)6-12-7-10/h5-8,13H,3-4H2,1-2H3
InChIKeyWCZVFUGDDVHXJD-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylbutyl)pyridin-3-amine?
The IUPAC name of 5-fluoro-N-(3-methylbutyl)pyridin-3-amine (CID 126972918) is 5-fluoro-N-(3-methylbutyl)pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-(3-methylbutyl)pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-(3-methylbutyl)pyridin-3-amine is CC(C)CCNc1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(3-methylbutyl)pyridin-3-amine?
The InChIKey is WCZVFUGDDVHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8(2)3-4-13-10-5-9(11)6-12-7-10/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-N-(3-methylbutyl)pyridin-3-amine?
5-fluoro-N-(3-methylbutyl)pyridin-3-amine has a molecular weight of 182.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylbutyl)pyridin-3-amine is sourced from PubChem (CID 126972918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).