N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine

C15H28N2O — CID 79916791

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)CC(NC2CN3CCC2CC3)C(C)(C)O1
InChIInChI=1S/C15H28N2O/c1-14(2)9-13(15(3,4)18-14)16-12-10-17-7-5-11(12)6-8-17/h11-13,16H,5-10H2,1-4H3
InChIKeyFRGOMCOTAHEDOB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 79916791) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID79916791
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)CC(NC2CN3CCC2CC3)C(C)(C)O1
InChIInChI=1S/C15H28N2O/c1-14(2)9-13(15(3,4)18-14)16-12-10-17-7-5-11(12)6-8-17/h11-13,16H,5-10H2,1-4H3
InChIKeyFRGOMCOTAHEDOB-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine 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 N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 79916791) is N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine is CC1(C)CC(NC2CN3CCC2CC3)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FRGOMCOTAHEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2)9-13(15(3,4)18-14)16-12-10-17-7-5-11(12)6-8-17/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 79916791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).