trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium

C10H21N2O2+ — CID 23270873

IUPACtrimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium
SMILESC[C@@]12CNC[C@@H](O1)[C@@H](C[N+](C)(C)C)O2
InChIInChI=1S/C10H21N2O2/c1-10-7-11-5-8(13-10)9(14-10)6-12(2,3)4/h8-9,11H,5-7H2,1-4H3/q+1/t8-,9-,10-/m1/s1
InChIKeyNRCIKIKMYWEZOW-OPRDCNLKSA-N
MW201.29 g/mol
LogP-0.20
Rot. Bonds2

About trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium

trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium (PubChem CID 23270873) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium
PubChem CID23270873
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Nametrimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium
SMILESC[C@@]12CNC[C@@H](O1)[C@@H](C[N+](C)(C)C)O2
InChIInChI=1S/C10H21N2O2/c1-10-7-11-5-8(13-10)9(14-10)6-12(2,3)4/h8-9,11H,5-7H2,1-4H3/q+1/t8-,9-,10-/m1/s1
InChIKeyNRCIKIKMYWEZOW-OPRDCNLKSA-N
XLogP-0.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium (CID 23270873) is trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium is C[C@@]12CNC[C@@H](O1)[C@@H](C[N+](C)(C)C)O2.
What is the InChIKey of trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium?
The InChIKey is NRCIKIKMYWEZOW-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H21N2O2/c1-10-7-11-5-8(13-10)9(14-10)6-12(2,3)4/h8-9,11H,5-7H2,1-4H3/q+1/t8-,9-,10-/m1/s1.
What are the key properties of trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium?
trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium has a molecular weight of 201.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium is sourced from PubChem (CID 23270873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).