11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane

C17H32N2O — CID 83039971

IUPAC11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1(C)CC(N2CCCNC3(CCCCC3)C2)CCO1
InChIInChI=1S/C17H32N2O/c1-16(2)13-15(7-12-20-16)19-11-6-10-18-17(14-19)8-4-3-5-9-17/h15,18H,3-14H2,1-2H3
InChIKeyGMGCICGLBPNWLU-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds1

About 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane

11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 83039971) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
PubChem CID83039971
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1(C)CC(N2CCCNC3(CCCCC3)C2)CCO1
InChIInChI=1S/C17H32N2O/c1-16(2)13-15(7-12-20-16)19-11-6-10-18-17(14-19)8-4-3-5-9-17/h15,18H,3-14H2,1-2H3
InChIKeyGMGCICGLBPNWLU-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
10-(1-methylpiperidin-4-yl)-6,10-diazaspiro[4.6]undecane
CID 64943929
10-(2,2-dimethylcyclopropyl)-6,10-diazaspiro[4.6]undecane
CID 64951525
4-cycloheptyl-1,4-diazaspiro[5.5]undecane
CID 64923858
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
11-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7,11-diazaspiro[5.6]dodecane
CID 64945031
4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
CID 79680272
4-(1-azaspiro[5.5]undecan-4-yl)morpholine
CID 79677734
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
10-(2,3-dihydro-1H-inden-2-yl)-6,10-diazaspiro[4.6]undecane
CID 107854029
10-(2,4-dimethylcyclohexyl)-6,10-diazaspiro[4.6]undecane
CID 64950224

Frequently Asked Questions

What is the IUPAC name of 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane (CID 83039971) is 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane is CC1(C)CC(N2CCCNC3(CCCCC3)C2)CCO1.
What is the InChIKey of 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is GMGCICGLBPNWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)13-15(7-12-20-16)19-11-6-10-18-17(14-19)8-4-3-5-9-17/h15,18H,3-14H2,1-2H3.
What are the key properties of 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane?
11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 280.46 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 83039971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).