N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine

C14H19FN2O — CID 113384977

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine
SMILESCCOC1CC(Nc2ccc(F)nc2)C12CCC2
InChIInChI=1S/C14H19FN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-10-4-5-13(15)16-9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3
InChIKeyXEEYPTMNUWHQRQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.98
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine (PubChem CID 113384977) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine
PubChem CID113384977
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine
SMILESCCOC1CC(Nc2ccc(F)nc2)C12CCC2
InChIInChI=1S/C14H19FN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-10-4-5-13(15)16-9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3
InChIKeyXEEYPTMNUWHQRQ-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine (CID 113384977) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine is CCOC1CC(Nc2ccc(F)nc2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine?
The InChIKey is XEEYPTMNUWHQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-18-12-8-11(14(12)6-3-7-14)17-10-4-5-13(15)16-9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine has a molecular weight of 250.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoropyridin-3-amine is sourced from PubChem (CID 113384977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).