N'-ethoxy-N'-oxidomethanediamine

C3H9N2O2- — CID 163863648

IUPACN'-ethoxy-N'-oxidomethanediamine
SMILESCCON([O-])CN
InChIInChI=1S/C3H9N2O2/c1-2-7-5(6)3-4/h2-4H2,1H3/q-1
InChIKeyBDWAJKTYGHIYSH-UHFFFAOYSA-N
MW105.12 g/mol
LogP-0.35
Rot. Bonds3

About N'-ethoxy-N'-oxidomethanediamine

N'-ethoxy-N'-oxidomethanediamine (PubChem CID 163863648) has the molecular formula C3H9N2O2- and a molecular weight of 105.12 g/mol. Its IUPAC name is N'-ethoxy-N'-oxidomethanediamine.

Molecular Properties

Compound NameN'-ethoxy-N'-oxidomethanediamine
PubChem CID163863648
Molecular FormulaC3H9N2O2-
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC NameN'-ethoxy-N'-oxidomethanediamine
SMILESCCON([O-])CN
InChIInChI=1S/C3H9N2O2/c1-2-7-5(6)3-4/h2-4H2,1H3/q-1
InChIKeyBDWAJKTYGHIYSH-UHFFFAOYSA-N
XLogP-0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyhydrazine
CID 160785529
[ethoxy(ethyl)amino]methanedithiol
CID 11576205
N,N,N',N'-tetraethoxyethane-1,2-diamine
CID 86169848
1,2-diethoxy-1,2-dimethoxyhydrazine
CID 154020746
N'-ethoxy-N'-propoxyethane-1,2-diamine
CID 87598750
ethanamine;ethoxyethane
CID 87409390
N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 87508990
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
potassium;2-[2-aminoethyl(ethoxy)amino]acetic acid;hydride
CID 174575586
[amino(ethoxy)amino]-methoxymethanol
CID 154495239
(deuterioamino)oxyethane
CID 59117090
ethoxymethanamine;methane
CID 162196031

Frequently Asked Questions

What is the IUPAC name of N'-ethoxy-N'-oxidomethanediamine?
The IUPAC name of N'-ethoxy-N'-oxidomethanediamine (CID 163863648) is N'-ethoxy-N'-oxidomethanediamine.
What is the SMILES notation for N'-ethoxy-N'-oxidomethanediamine?
The canonical SMILES for N'-ethoxy-N'-oxidomethanediamine is CCON([O-])CN.
What is the InChIKey of N'-ethoxy-N'-oxidomethanediamine?
The InChIKey is BDWAJKTYGHIYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2/c1-2-7-5(6)3-4/h2-4H2,1H3/q-1.
What are the key properties of N'-ethoxy-N'-oxidomethanediamine?
N'-ethoxy-N'-oxidomethanediamine has a molecular weight of 105.12 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-N'-oxidomethanediamine is sourced from PubChem (CID 163863648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).