[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium

C11H24N3O3+ — CID 167630306

IUPAC[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium
SMILESCNC([NH3+])N1C[C@]2(COC)O[C@@H](C)C1C2OC
InChIInChI=1S/C11H23N3O3/c1-7-8-9(16-4)11(17-7,6-15-3)5-14(8)10(12)13-2/h7-10,13H,5-6,12H2,1-4H3/p+1/t7-,8?,9?,10?,11+/m0/s1
InChIKeyNRQSHZHEXFLMLV-IGDWCOGCSA-O
MW246.33 g/mol
LogP-1.77
Rot. Bonds5

About [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium

[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium (PubChem CID 167630306) has the molecular formula C11H24N3O3+ and a molecular weight of 246.33 g/mol. Its IUPAC name is [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium.

Molecular Properties

Compound Name[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium
PubChem CID167630306
Molecular FormulaC11H24N3O3+
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Name[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium
SMILESCNC([NH3+])N1C[C@]2(COC)O[C@@H](C)C1C2OC
InChIInChI=1S/C11H23N3O3/c1-7-8-9(16-4)11(17-7,6-15-3)5-14(8)10(12)13-2/h7-10,13H,5-6,12H2,1-4H3/p+1/t7-,8?,9?,10?,11+/m0/s1
InChIKeyNRQSHZHEXFLMLV-IGDWCOGCSA-O
XLogP-1.77
TPSA70.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium?
The IUPAC name of [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium (CID 167630306) is [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium.
What is the SMILES notation for [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium?
The canonical SMILES for [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium is CNC([NH3+])N1C[C@]2(COC)O[C@@H](C)C1C2OC.
What is the InChIKey of [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium?
The InChIKey is NRQSHZHEXFLMLV-IGDWCOGCSA-O. The full InChI is InChI=1S/C11H23N3O3/c1-7-8-9(16-4)11(17-7,6-15-3)5-14(8)10(12)13-2/h7-10,13H,5-6,12H2,1-4H3/p+1/t7-,8?,9?,10?,11+/m0/s1.
What are the key properties of [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium?
[[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium has a molecular weight of 246.33 g/mol, XLogP of -1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,3S)-7-methoxy-1-(methoxymethyl)-3-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(methylamino)methyl]azanium is sourced from PubChem (CID 167630306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).