N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C15H19FN2O — CID 75516219

IUPACN-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESFc1cccnc1CNC1C2CCOC2C12CCC2
InChIInChI=1S/C15H19FN2O/c16-11-3-1-7-17-12(11)9-18-13-10-4-8-19-14(10)15(13)5-2-6-15/h1,3,7,10,13-14,18H,2,4-6,8-9H2
InChIKeyPUBHLBKEFMHMNM-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.27
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 75516219) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID75516219
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESFc1cccnc1CNC1C2CCOC2C12CCC2
InChIInChI=1S/C15H19FN2O/c16-11-3-1-7-17-12(11)9-18-13-10-4-8-19-14(10)15(13)5-2-6-15/h1,3,7,10,13-14,18H,2,4-6,8-9H2
InChIKeyPUBHLBKEFMHMNM-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 75516219) is N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is Fc1cccnc1CNC1C2CCOC2C12CCC2.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is PUBHLBKEFMHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-11-3-1-7-17-12(11)9-18-13-10-4-8-19-14(10)15(13)5-2-6-15/h1,3,7,10,13-14,18H,2,4-6,8-9H2.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 262.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 75516219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).