6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane

C15H21NO — CID 79441983

IUPAC6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CCOC3)c1
InChIInChI=1S/C15H21NO/c1-12-3-2-4-13(9-12)14-10-16-7-5-15(14)6-8-17-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3
InChIKeyCSNXUQQPTAKNSY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.48
Rot. Bonds1

About 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane

6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 79441983) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID79441983
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CCOC3)c1
InChIInChI=1S/C15H21NO/c1-12-3-2-4-13(9-12)14-10-16-7-5-15(14)6-8-17-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3
InChIKeyCSNXUQQPTAKNSY-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441453
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79422754
5-(3-bromophenyl)-9-oxa-3-azaspiro[5.6]dodecane
CID 79433530

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane (CID 79441983) is 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane is Cc1cccc(C2CNCCC23CCOC3)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is CSNXUQQPTAKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-3-2-4-13(9-12)14-10-16-7-5-15(14)6-8-17-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3.
What are the key properties of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79441983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).