2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane

C12H22N2O — CID 129100652

IUPAC2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(C3COC3)CC2)C1
InChIInChI=1S/C12H22N2O/c1-13-5-2-12(10-13)3-6-14(7-4-12)11-8-15-9-11/h11H,2-10H2,1H3
InChIKeyOSQUFZATRSGQBO-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.80
Rot. Bonds1

About 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane

2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 129100652) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane
PubChem CID129100652
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(C3COC3)CC2)C1
InChIInChI=1S/C12H22N2O/c1-13-5-2-12(10-13)3-6-14(7-4-12)11-8-15-9-11/h11H,2-10H2,1H3
InChIKeyOSQUFZATRSGQBO-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane (CID 129100652) is 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane is CN1CCC2(CCN(C3COC3)CC2)C1.
What is the InChIKey of 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is OSQUFZATRSGQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-5-2-12(10-13)3-6-14(7-4-12)11-8-15-9-11/h11H,2-10H2,1H3.
What are the key properties of 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane?
2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 129100652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).