N-methyl-N-propoxymethanamine oxide

C5H13NO2 — CID 54365110

IUPACN-methyl-N-propoxymethanamine oxide
SMILESCCCO[N+](C)(C)[O-]
InChIInChI=1S/C5H13NO2/c1-4-5-8-6(2,3)7/h4-5H2,1-3H3
InChIKeyUPGCDMRFYRJHFT-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-N-propoxymethanamine oxide

N-methyl-N-propoxymethanamine oxide (PubChem CID 54365110) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is N-methyl-N-propoxymethanamine oxide.

Molecular Properties

Compound NameN-methyl-N-propoxymethanamine oxide
PubChem CID54365110
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameN-methyl-N-propoxymethanamine oxide
SMILESCCCO[N+](C)(C)[O-]
InChIInChI=1S/C5H13NO2/c1-4-5-8-6(2,3)7/h4-5H2,1-3H3
InChIKeyUPGCDMRFYRJHFT-UHFFFAOYSA-N
XLogP0.90
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrapropoxyazanium bromide
CID 87770542
dimethyl-(3-oxidooxoniopropyl)-propoxyazanium
CID 137149530
N-ethoxy-N-methylpropan-1-amine oxide
CID 175077084
potassium 1-oxidooxypropane
CID 18736906
N-methoxy-N-methylmethanamine oxide
CID 18929186
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
decyl(trimethyl)azanium;hexadecyl sulfate
CID 22145052
decyl(trimethyl)azanium;dodecyl sulfate
CID 87665882
2,2,4,4,6,6,8,8-octapropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 140868253
N-ethyl-N-methylpropan-1-amine oxide
CID 102278866
trimethyl(pentadecoxy)azanium chloride
CID 71318930
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propoxymethanamine oxide?
The IUPAC name of N-methyl-N-propoxymethanamine oxide (CID 54365110) is N-methyl-N-propoxymethanamine oxide.
What is the SMILES notation for N-methyl-N-propoxymethanamine oxide?
The canonical SMILES for N-methyl-N-propoxymethanamine oxide is CCCO[N+](C)(C)[O-].
What is the InChIKey of N-methyl-N-propoxymethanamine oxide?
The InChIKey is UPGCDMRFYRJHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4-5-8-6(2,3)7/h4-5H2,1-3H3.
What are the key properties of N-methyl-N-propoxymethanamine oxide?
N-methyl-N-propoxymethanamine oxide has a molecular weight of 119.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propoxymethanamine oxide is sourced from PubChem (CID 54365110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).