bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine

C18H36N6O6 — CID 154733671

IUPACbis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine
SMILESC[C@@H]1CN(N=O)C[C@@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1
InChIInChI=1S/3C6H12N2O2/c3*1-5-3-8(7-9)4-6(2)10-5/h3*5-6H,3-4H2,1-2H3/t2*5-,6+;5-,6-/m..1/s1
InChIKeyJYIBJQWYLQGIKZ-NMWJNNRQSA-N
MW432.52 g/mol
LogP2.33
Rot. Bonds3

About bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine

bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine (PubChem CID 154733671) has the molecular formula C18H36N6O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine.

Molecular Properties

Compound Namebis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine
PubChem CID154733671
Molecular FormulaC18H36N6O6
Molecular Weight432.52 g/mol
Exact Mass432.27
IUPAC Namebis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine
SMILESC[C@@H]1CN(N=O)C[C@@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1
InChIInChI=1S/3C6H12N2O2/c3*1-5-3-8(7-9)4-6(2)10-5/h3*5-6H,3-4H2,1-2H3/t2*5-,6+;5-,6-/m..1/s1
InChIKeyJYIBJQWYLQGIKZ-NMWJNNRQSA-N
XLogP2.33
TPSA125.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine?
The IUPAC name of bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine (CID 154733671) is bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine.
What is the SMILES notation for bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine?
The canonical SMILES for bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine is C[C@@H]1CN(N=O)C[C@@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1.C[C@@H]1CN(N=O)C[C@H](C)O1.
What is the InChIKey of bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine?
The InChIKey is JYIBJQWYLQGIKZ-NMWJNNRQSA-N. The full InChI is InChI=1S/3C6H12N2O2/c3*1-5-3-8(7-9)4-6(2)10-5/h3*5-6H,3-4H2,1-2H3/t2*5-,6+;5-,6-/m..1/s1.
What are the key properties of bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine?
bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine has a molecular weight of 432.52 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R,6S)-2,6-dimethyl-4-nitrosomorpholine);(2R,6R)-2,6-dimethyl-4-nitrosomorpholine is sourced from PubChem (CID 154733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).