3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)

C10H19N2Rb — CID 59777249

IUPAC3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)
SMILESCC(C)(C)N1CC2CCC(C1)[N-]2.[Rb+]
InChIInChI=1S/C10H19N2.Rb/c1-10(2,3)12-6-8-4-5-9(7-12)11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyQQRFHERGFSEAIB-UHFFFAOYSA-N
MW252.74 g/mol
LogP-0.99
Rot. Bonds

About 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)

3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) (PubChem CID 59777249) has the molecular formula C10H19N2Rb and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+).

Molecular Properties

Compound Name3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)
PubChem CID59777249
Molecular FormulaC10H19N2Rb
Molecular Weight252.74 g/mol
Exact Mass252.07
IUPAC Name3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)
SMILESCC(C)(C)N1CC2CCC(C1)[N-]2.[Rb+]
InChIInChI=1S/C10H19N2.Rb/c1-10(2,3)12-6-8-4-5-9(7-12)11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyQQRFHERGFSEAIB-UHFFFAOYSA-N
XLogP-0.99
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) 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 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)?
The IUPAC name of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) (CID 59777249) is 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+).
What is the SMILES notation for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)?
The canonical SMILES for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) is CC(C)(C)N1CC2CCC(C1)[N-]2.[Rb+].
What is the InChIKey of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)?
The InChIKey is QQRFHERGFSEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.Rb/c1-10(2,3)12-6-8-4-5-9(7-12)11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1.
What are the key properties of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)?
3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) has a molecular weight of 252.74 g/mol, XLogP of -0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+) is sourced from PubChem (CID 59777249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).