amino-ethoxy-methoxy-methylazanium

C4H13N2O2+ — CID 163831718

IUPACamino-ethoxy-methoxy-methylazanium
SMILESCCO[N+](C)(N)OC
InChIInChI=1S/C4H13N2O2/c1-4-8-6(2,5)7-3/h4-5H2,1-3H3/q+1
InChIKeyUDEZTCAJPGMRHC-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.18
Rot. Bonds3

About amino-ethoxy-methoxy-methylazanium

amino-ethoxy-methoxy-methylazanium (PubChem CID 163831718) has the molecular formula C4H13N2O2+ and a molecular weight of 121.16 g/mol. Its IUPAC name is amino-ethoxy-methoxy-methylazanium.

Molecular Properties

Compound Nameamino-ethoxy-methoxy-methylazanium
PubChem CID163831718
Molecular FormulaC4H13N2O2+
Molecular Weight121.16 g/mol
Exact Mass121.10
IUPAC Nameamino-ethoxy-methoxy-methylazanium
SMILESCCO[N+](C)(N)OC
InChIInChI=1S/C4H13N2O2/c1-4-8-6(2,5)7-3/h4-5H2,1-3H3/q+1
InChIKeyUDEZTCAJPGMRHC-UHFFFAOYSA-N
XLogP-0.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 136688381
CID 136688381
N-ethoxy-N-methylpropan-1-amine oxide
CID 175077084
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
amino-dimethyl-(triethoxysilylmethyl)azanium
CID 86240589
methane;methoxyethane
CID 158573885
methoxyethane;hydroiodide
CID 162009435
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
diamino-(aminooxymethyl)-methoxyazanium
CID 163570183
O-ethylhydroxylamine;trimethyl(propyl)azanium
CID 162168540
amino(trimethyl)azanium;2-methoxyethanamine;chloride
CID 174652181
triamino(ethoxycarbonyl)azanium
CID 91486917

Frequently Asked Questions

What is the IUPAC name of amino-ethoxy-methoxy-methylazanium?
The IUPAC name of amino-ethoxy-methoxy-methylazanium (CID 163831718) is amino-ethoxy-methoxy-methylazanium.
What is the SMILES notation for amino-ethoxy-methoxy-methylazanium?
The canonical SMILES for amino-ethoxy-methoxy-methylazanium is CCO[N+](C)(N)OC.
What is the InChIKey of amino-ethoxy-methoxy-methylazanium?
The InChIKey is UDEZTCAJPGMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2O2/c1-4-8-6(2,5)7-3/h4-5H2,1-3H3/q+1.
What are the key properties of amino-ethoxy-methoxy-methylazanium?
amino-ethoxy-methoxy-methylazanium has a molecular weight of 121.16 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-ethoxy-methoxy-methylazanium is sourced from PubChem (CID 163831718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).