6-phenyl-4-azaspiro[2.4]heptane

C12H15N — CID 68626845

IUPAC6-phenyl-4-azaspiro[2.4]heptane
SMILESc1ccc(C2CNC3(CC3)C2)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(6-7-12)13-9-11/h1-5,11,13H,6-9H2
InChIKeyDJKXRLXXLXBBEC-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.30
Rot. Bonds1

About 6-phenyl-4-azaspiro[2.4]heptane

6-phenyl-4-azaspiro[2.4]heptane (PubChem CID 68626845) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-phenyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-phenyl-4-azaspiro[2.4]heptane
PubChem CID68626845
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-phenyl-4-azaspiro[2.4]heptane
SMILESc1ccc(C2CNC3(CC3)C2)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(6-7-12)13-9-11/h1-5,11,13H,6-9H2
InChIKeyDJKXRLXXLXBBEC-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-azaspiro[2.4]heptane?
The IUPAC name of 6-phenyl-4-azaspiro[2.4]heptane (CID 68626845) is 6-phenyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-phenyl-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-phenyl-4-azaspiro[2.4]heptane is c1ccc(C2CNC3(CC3)C2)cc1.
What is the InChIKey of 6-phenyl-4-azaspiro[2.4]heptane?
The InChIKey is DJKXRLXXLXBBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(6-7-12)13-9-11/h1-5,11,13H,6-9H2.
What are the key properties of 6-phenyl-4-azaspiro[2.4]heptane?
6-phenyl-4-azaspiro[2.4]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 68626845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).