N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine

C11H15FN2 — CID 165166462

IUPACN-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1ccc(NC2CC2)nc1F
InChIInChI=1S/C11H15FN2/c1-7(2)9-5-6-10(14-11(9)12)13-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyQHOSIEYWGQFNKC-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.92
Rot. Bonds3

About N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine

N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine (PubChem CID 165166462) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine
PubChem CID165166462
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1ccc(NC2CC2)nc1F
InChIInChI=1S/C11H15FN2/c1-7(2)9-5-6-10(14-11(9)12)13-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyQHOSIEYWGQFNKC-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine (CID 165166462) is N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine is CC(C)c1ccc(NC2CC2)nc1F.
What is the InChIKey of N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine?
The InChIKey is QHOSIEYWGQFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7(2)9-5-6-10(14-11(9)12)13-8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine?
N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine has a molecular weight of 194.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 165166462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).