N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine

C14H21FN2O — CID 82759898

IUPACN-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine
SMILESCCC1(CC)CC(Nc2cccc(F)n2)CCO1
InChIInChI=1S/C14H21FN2O/c1-3-14(4-2)10-11(8-9-18-14)16-13-7-5-6-12(15)17-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyWNTIVBBNERTITN-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.37
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine

N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine (PubChem CID 82759898) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine
PubChem CID82759898
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine
SMILESCCC1(CC)CC(Nc2cccc(F)n2)CCO1
InChIInChI=1S/C14H21FN2O/c1-3-14(4-2)10-11(8-9-18-14)16-13-7-5-6-12(15)17-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyWNTIVBBNERTITN-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine (CID 82759898) is N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine is CCC1(CC)CC(Nc2cccc(F)n2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine?
The InChIKey is WNTIVBBNERTITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-14(4-2)10-11(8-9-18-14)16-13-7-5-6-12(15)17-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine?
N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine has a molecular weight of 252.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 82759898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).