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

C18H34N2 — CID 59311810

IUPAC9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CCC(C)(N1CCC1)CC2
InChIInChI=1S/C18H34N2/c1-16(2,3)19-14-10-18(11-15-19)8-6-17(4,7-9-18)20-12-5-13-20/h5-15H2,1-4H3
InChIKeyFCAVNOOZKJUHNP-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.91
Rot. Bonds1

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

9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane (PubChem CID 59311810) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane
PubChem CID59311810
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CCC(C)(N1CCC1)CC2
InChIInChI=1S/C18H34N2/c1-16(2,3)19-14-10-18(11-15-19)8-6-17(4,7-9-18)20-12-5-13-20/h5-15H2,1-4H3
InChIKeyFCAVNOOZKJUHNP-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane (CID 59311810) is 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane is CC(C)(C)N1CCC2(CC1)CCC(C)(N1CCC1)CC2.
What is the InChIKey of 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane?
The InChIKey is FCAVNOOZKJUHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-16(2,3)19-14-10-18(11-15-19)8-6-17(4,7-9-18)20-12-5-13-20/h5-15H2,1-4H3.
What are the key properties of 9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane?
9-(azetidin-1-yl)-3-tert-butyl-9-methyl-3-azaspiro[5.5]undecane has a molecular weight of 278.48 g/mol, XLogP of 3.91, 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-9-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 59311810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).