8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane

C16H22N2O — CID 19814252

IUPAC8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane
SMILESC=C1N(C)OCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N2O/c1-14-16(13-19-17(14)2)8-10-18(11-9-16)12-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyXWFPZXOITVUYFO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.66
Rot. Bonds2

About 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane

8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane (PubChem CID 19814252) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane
PubChem CID19814252
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane
SMILESC=C1N(C)OCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N2O/c1-14-16(13-19-17(14)2)8-10-18(11-9-16)12-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyXWFPZXOITVUYFO-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane?
The IUPAC name of 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane (CID 19814252) is 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane is C=C1N(C)OCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane?
The InChIKey is XWFPZXOITVUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14-16(13-19-17(14)2)8-10-18(11-9-16)12-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3.
What are the key properties of 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane?
8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane has a molecular weight of 258.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 19814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).