N-amino-N-ethylethanamine oxide

C4H12N2O — CID 87223186

IUPACN-amino-N-ethylethanamine oxide
SMILESCC[N+](N)([O-])CC
InChIInChI=1S/C4H12N2O/c1-3-6(5,7)4-2/h3-5H2,1-2H3
InChIKeyMDTLNLKIDCGOJW-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.21
Rot. Bonds2

About N-amino-N-ethylethanamine oxide

N-amino-N-ethylethanamine oxide (PubChem CID 87223186) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N-amino-N-ethylethanamine oxide.

Molecular Properties

Compound NameN-amino-N-ethylethanamine oxide
PubChem CID87223186
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN-amino-N-ethylethanamine oxide
SMILESCC[N+](N)([O-])CC
InChIInChI=1S/C4H12N2O/c1-3-6(5,7)4-2/h3-5H2,1-2H3
InChIKeyMDTLNLKIDCGOJW-UHFFFAOYSA-N
XLogP0.21
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-amino-N-ethylethanamine oxide?
The IUPAC name of N-amino-N-ethylethanamine oxide (CID 87223186) is N-amino-N-ethylethanamine oxide.
What is the SMILES notation for N-amino-N-ethylethanamine oxide?
The canonical SMILES for N-amino-N-ethylethanamine oxide is CC[N+](N)([O-])CC.
What is the InChIKey of N-amino-N-ethylethanamine oxide?
The InChIKey is MDTLNLKIDCGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-3-6(5,7)4-2/h3-5H2,1-2H3.
What are the key properties of N-amino-N-ethylethanamine oxide?
N-amino-N-ethylethanamine oxide has a molecular weight of 104.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-ethylethanamine oxide is sourced from PubChem (CID 87223186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).