2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane

C18H27NO — CID 141308717

IUPAC2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
SMILESCC(C)Oc1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)20-17-8-6-16(7-9-17)19-13-12-18(14-19)10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyIBHSVHPSMAKBIR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.63
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane

2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane (PubChem CID 141308717) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
PubChem CID141308717
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
SMILESCC(C)Oc1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)20-17-8-6-16(7-9-17)19-13-12-18(14-19)10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyIBHSVHPSMAKBIR-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane (CID 141308717) is 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane is CC(C)Oc1ccc(N2CCC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane?
The InChIKey is IBHSVHPSMAKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(2)20-17-8-6-16(7-9-17)19-13-12-18(14-19)10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane?
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane has a molecular weight of 273.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 141308717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).