4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane

C17H25NO — CID 79441377

IUPAC4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cccc(C2CNCCC23CCOC(C)C3)c1
InChIInChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3
InChIKeyAWIBRRASDDERMT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds1

About 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane

4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79441377) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79441377
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cccc(C2CNCCC23CCOC(C)C3)c1
InChIInChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3
InChIKeyAWIBRRASDDERMT-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79434196
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
CID 114285264
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane (CID 79441377) is 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane is Cc1cccc(C2CNCCC23CCOC(C)C3)c1.
What is the InChIKey of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is AWIBRRASDDERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 259.39 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79441377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).