(3S)-3-phenyl-1-azaspiro[4.5]decane

C15H21N — CID 129366123

IUPAC(3S)-3-phenyl-1-azaspiro[4.5]decane
SMILESc1ccc([C@H]2CNC3(CCCCC3)C2)cc1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)14-11-15(16-12-14)9-5-2-6-10-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2/t14-/m1/s1
InChIKeyZUOOIHKRWNHACT-CQSZACIVSA-N
MW215.34 g/mol
LogP3.47
Rot. Bonds1

About (3S)-3-phenyl-1-azaspiro[4.5]decane

(3S)-3-phenyl-1-azaspiro[4.5]decane (PubChem CID 129366123) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S)-3-phenyl-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-phenyl-1-azaspiro[4.5]decane
PubChem CID129366123
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(3S)-3-phenyl-1-azaspiro[4.5]decane
SMILESc1ccc([C@H]2CNC3(CCCCC3)C2)cc1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)14-11-15(16-12-14)9-5-2-6-10-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2/t14-/m1/s1
InChIKeyZUOOIHKRWNHACT-CQSZACIVSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-phenyl-1-azaspiro[4.5]decane (CID 129366123) is (3S)-3-phenyl-1-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-phenyl-1-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-phenyl-1-azaspiro[4.5]decane is c1ccc([C@H]2CNC3(CCCCC3)C2)cc1.
What is the InChIKey of (3S)-3-phenyl-1-azaspiro[4.5]decane?
The InChIKey is ZUOOIHKRWNHACT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N/c1-3-7-13(8-4-1)14-11-15(16-12-14)9-5-2-6-10-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2/t14-/m1/s1.
What are the key properties of (3S)-3-phenyl-1-azaspiro[4.5]decane?
(3S)-3-phenyl-1-azaspiro[4.5]decane has a molecular weight of 215.34 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1-azaspiro[4.5]decane is sourced from PubChem (CID 129366123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).