8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane

C17H26N2O — CID 58245068

IUPAC8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(CN2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)16-5-3-15(4-6-16)13-19-10-7-17(8-11-19)18-9-12-20-17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyOYDGTBHXZOVPJQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds3

About 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane

8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245068) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245068
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(CN2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)16-5-3-15(4-6-16)13-19-10-7-17(8-11-19)18-9-12-20-17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyOYDGTBHXZOVPJQ-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245068) is 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane is CC(C)c1ccc(CN2CCC3(CC2)NCCO3)cc1.
What is the InChIKey of 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is OYDGTBHXZOVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)16-5-3-15(4-6-16)13-19-10-7-17(8-11-19)18-9-12-20-17/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane?
8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 274.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).