3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C16H22N2O — CID 134794975

IUPAC3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C16H22N2O/c1-13-3-5-15(6-4-13)12-18-9-7-16(8-10-18)11-14(2)17-19-16/h3-6H,7-12H2,1-2H3
InChIKeyQWBUIBJYJYGUAZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.13
Rot. Bonds2

About 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134794975) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134794975
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCN(Cc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C16H22N2O/c1-13-3-5-15(6-4-13)12-18-9-7-16(8-10-18)11-14(2)17-19-16/h3-6H,7-12H2,1-2H3
InChIKeyQWBUIBJYJYGUAZ-UHFFFAOYSA-N
XLogP3.13
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134794975) is 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC1=NOC2(CCN(Cc3ccc(C)cc3)CC2)C1.
What is the InChIKey of 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is QWBUIBJYJYGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-3-5-15(6-4-13)12-18-9-7-16(8-10-18)11-14(2)17-19-16/h3-6H,7-12H2,1-2H3.
What are the key properties of 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 258.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134794975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).