8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)

C10H19N2ORb — CID 59777280

IUPAC8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)
SMILESCC(C)(C)N1CC2[N-]CCOC2C1.[Rb+]
InChIInChI=1S/C10H19N2O.Rb/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyKIVYCXPRAYQXHE-UHFFFAOYSA-N
MW268.74 g/mol
LogP-1.75
Rot. Bonds

About 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)

8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+) (PubChem CID 59777280) has the molecular formula C10H19N2ORb and a molecular weight of 268.74 g/mol. Its IUPAC name is 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+).

Molecular Properties

Compound Name8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)
PubChem CID59777280
Molecular FormulaC10H19N2ORb
Molecular Weight268.74 g/mol
Exact Mass268.06
IUPAC Name8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)
SMILESCC(C)(C)N1CC2[N-]CCOC2C1.[Rb+]
InChIInChI=1S/C10H19N2O.Rb/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyKIVYCXPRAYQXHE-UHFFFAOYSA-N
XLogP-1.75
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;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

Related Compounds

(4aS,7aR)-6-(2-fluoroethyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 130621082
6-(2-Fluoroethyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 130627637
(4aR,7aR)-6-(2-fluoroethyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 130657637
2,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 19969874
4,6-Dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 22958382
(4aR,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 54242718
(4aS,7aS)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 54242719
4-Ethyl-6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 57842945
6-Ethyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 57842958
6-Tert-butyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 58330405
4-(1-Tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
4-(1-Methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine
CID 58469670

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)?
The IUPAC name of 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+) (CID 59777280) is 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+).
What is the SMILES notation for 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)?
The canonical SMILES for 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+) is CC(C)(C)N1CC2[N-]CCOC2C1.[Rb+].
What is the InChIKey of 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)?
The InChIKey is KIVYCXPRAYQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O.Rb/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;/h8-9H,4-7H2,1-3H3;/q-1;+1.
What are the key properties of 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)?
8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+) has a molecular weight of 268.74 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+) is sourced from PubChem (CID 59777280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).