bis(N-methylmethanamine oxide);methyl(oxido)azanium

C5H19N3O3 — CID 159111842

IUPACbis(N-methylmethanamine oxide);methyl(oxido)azanium
SMILESC[NH+](C)[O-].C[NH+](C)[O-].C[NH2+][O-]
InChIInChI=1S/2C2H7NO.CH5NO/c2*1-3(2)4;1-2-3/h2*3H,1-2H3;2H2,1H3
InChIKeyKEPFWXYMILKEIQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP-4.07
Rot. Bonds

About bis(N-methylmethanamine oxide);methyl(oxido)azanium

bis(N-methylmethanamine oxide);methyl(oxido)azanium (PubChem CID 159111842) has the molecular formula C5H19N3O3 and a molecular weight of 169.22 g/mol. Its IUPAC name is bis(N-methylmethanamine oxide);methyl(oxido)azanium.

Molecular Properties

Compound Namebis(N-methylmethanamine oxide);methyl(oxido)azanium
PubChem CID159111842
Molecular FormulaC5H19N3O3
Molecular Weight169.22 g/mol
Exact Mass169.14
IUPAC Namebis(N-methylmethanamine oxide);methyl(oxido)azanium
SMILESC[NH+](C)[O-].C[NH+](C)[O-].C[NH2+][O-]
InChIInChI=1S/2C2H7NO.CH5NO/c2*1-3(2)4;1-2-3/h2*3H,1-2H3;2H2,1H3
InChIKeyKEPFWXYMILKEIQ-UHFFFAOYSA-N
XLogP-4.07
TPSA94.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-4.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 20461718
CID 20461718
CID 88610005
CID 88610005
CID 157647287
CID 157647287
CID 160334343
CID 160334343
CID 162079518
CID 162079518
CID 163727755
CID 163727755
CID 164167747
CID 164167747
CID 174902033
CID 174902033

Frequently Asked Questions

What is the IUPAC name of bis(N-methylmethanamine oxide);methyl(oxido)azanium?
The IUPAC name of bis(N-methylmethanamine oxide);methyl(oxido)azanium (CID 159111842) is bis(N-methylmethanamine oxide);methyl(oxido)azanium.
What is the SMILES notation for bis(N-methylmethanamine oxide);methyl(oxido)azanium?
The canonical SMILES for bis(N-methylmethanamine oxide);methyl(oxido)azanium is C[NH+](C)[O-].C[NH+](C)[O-].C[NH2+][O-].
What is the InChIKey of bis(N-methylmethanamine oxide);methyl(oxido)azanium?
The InChIKey is KEPFWXYMILKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7NO.CH5NO/c2*1-3(2)4;1-2-3/h2*3H,1-2H3;2H2,1H3.
What are the key properties of bis(N-methylmethanamine oxide);methyl(oxido)azanium?
bis(N-methylmethanamine oxide);methyl(oxido)azanium has a molecular weight of 169.22 g/mol, XLogP of -4.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methylmethanamine oxide);methyl(oxido)azanium is sourced from PubChem (CID 159111842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).