2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C13H26N2O — CID 170012952

IUPAC2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC(C)(C)OC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)15-9-12(3,4)16-13(10-15)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3
InChIKeyGWHSIBSZJNBQAK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 170012952) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID170012952
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC(C)(C)OC2(CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)15-9-12(3,4)16-13(10-15)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3
InChIKeyGWHSIBSZJNBQAK-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 170012952) is 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CC(C)(C)OC2(CCNCC2)C1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is GWHSIBSZJNBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)15-9-12(3,4)16-13(10-15)5-7-14-8-6-13/h11,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 226.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170012952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).