9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane

C19H29NO — CID 103968892

IUPAC9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESCc1cc(C)c(C2CNCC3(CCCCC3)CO2)c(C)c1
InChIInChI=1S/C19H29NO/c1-14-9-15(2)18(16(3)10-14)17-11-20-12-19(13-21-17)7-5-4-6-8-19/h9-10,17,20H,4-8,11-13H2,1-3H3
InChIKeyMVPRQRMEOOAHJA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.22
Rot. Bonds1

About 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane

9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968892) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
PubChem CID103968892
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESCc1cc(C)c(C2CNCC3(CCCCC3)CO2)c(C)c1
InChIInChI=1S/C19H29NO/c1-14-9-15(2)18(16(3)10-14)17-11-20-12-19(13-21-17)7-5-4-6-8-19/h9-10,17,20H,4-8,11-13H2,1-3H3
InChIKeyMVPRQRMEOOAHJA-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968945
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
9-(ethoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968922
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
2-methyl-2-(2-methylpropyl)-6-(2,4,6-trimethylphenyl)morpholine
CID 66178760

Frequently Asked Questions

What is the IUPAC name of 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane (CID 103968892) is 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane is Cc1cc(C)c(C2CNCC3(CCCCC3)CO2)c(C)c1.
What is the InChIKey of 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is MVPRQRMEOOAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-9-15(2)18(16(3)10-14)17-11-20-12-19(13-21-17)7-5-4-6-8-19/h9-10,17,20H,4-8,11-13H2,1-3H3.
What are the key properties of 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 287.45 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).