9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane

C17H32N2 — CID 59367802

IUPAC9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCC(N3CCC3)CC2)CC1
InChIInChI=1S/C17H32N2/c1-16(2,3)19-13-9-17(10-14-19)7-5-15(6-8-17)18-11-4-12-18/h15H,4-14H2,1-3H3
InChIKeyUPDANEJTKKRJIQ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.52
Rot. Bonds1

About 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane

9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane (PubChem CID 59367802) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane
PubChem CID59367802
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCC(N3CCC3)CC2)CC1
InChIInChI=1S/C17H32N2/c1-16(2,3)19-13-9-17(10-14-19)7-5-15(6-8-17)18-11-4-12-18/h15H,4-14H2,1-3H3
InChIKeyUPDANEJTKKRJIQ-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane (CID 59367802) is 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane is CC(C)(C)N1CCC2(CCC(N3CCC3)CC2)CC1.
What is the InChIKey of 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane?
The InChIKey is UPDANEJTKKRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-16(2,3)19-13-9-17(10-14-19)7-5-15(6-8-17)18-11-4-12-18/h15H,4-14H2,1-3H3.
What are the key properties of 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane?
9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane has a molecular weight of 264.46 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azetidin-1-yl)-3-tert-butyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 59367802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).