4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane

C16H30N2O — CID 83038956

IUPAC4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CC(N2CCNC3(CCCCC3)C2)CCO1
InChIInChI=1S/C16H30N2O/c1-15(2)12-14(6-11-19-15)18-10-9-17-16(13-18)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3
InChIKeyUWBVEQLCUULNBX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds1

About 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane

4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 83038956) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID83038956
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CC(N2CCNC3(CCCCC3)C2)CCO1
InChIInChI=1S/C16H30N2O/c1-15(2)12-14(6-11-19-15)18-10-9-17-16(13-18)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3
InChIKeyUWBVEQLCUULNBX-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane (CID 83038956) is 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane is CC1(C)CC(N2CCNC3(CCCCC3)C2)CCO1.
What is the InChIKey of 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is UWBVEQLCUULNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2)12-14(6-11-19-15)18-10-9-17-16(13-18)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane?
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.43 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 83038956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).