N'-ethyl-N-methyl-N,N'-dioxidomethanediamine

C4H10N2O2-2 — CID 163436246

IUPACN'-ethyl-N-methyl-N,N'-dioxidomethanediamine
SMILESCCN([O-])CN(C)[O-]
InChIInChI=1S/C4H10N2O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3/q-2
InChIKeyWTHAUZFEDPUUSB-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.19
Rot. Bonds3

About N'-ethyl-N-methyl-N,N'-dioxidomethanediamine

N'-ethyl-N-methyl-N,N'-dioxidomethanediamine (PubChem CID 163436246) has the molecular formula C4H10N2O2-2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N,N'-dioxidomethanediamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N,N'-dioxidomethanediamine
PubChem CID163436246
Molecular FormulaC4H10N2O2-2
Molecular Weight118.14 g/mol
Exact Mass118.08
IUPAC NameN'-ethyl-N-methyl-N,N'-dioxidomethanediamine
SMILESCCN([O-])CN(C)[O-]
InChIInChI=1S/C4H10N2O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3/q-2
InChIKeyWTHAUZFEDPUUSB-UHFFFAOYSA-N
XLogP0.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.19
H-Bond Donors ≤ 50
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'}

Analyze N'-ethyl-N-methyl-N,N'-dioxidomethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

barium(2+);bis(N-ethyl-N-oxidoethanamine)
CID 177496952
N,N,N'-triethyl-N'-oxidoethane-1,2-diamine
CID 172556046
2-chloro-N-ethyl-N-oxidopropan-1-amine
CID 175444900
carbon dioxide;N,N-dimethylethanamine
CID 158904946
N,N-dimethylethanamine;hydroiodide
CID 173048873
azane;N,N-dimethylethanamine
CID 91593223
bis(N,N-dimethylethanamine);methane
CID 160872665
N,N-dimethylethanamine;methane
CID 159924855
N-(iodomethyl)-N-methylethanamine
CID 90317117
N-methyl-N-oxidohexan-1-amine
CID 87985172
N,N-dimethylethanamine;N,N-dimethylmethanamine;ethane
CID 142201174
CID 163902323
CID 163902323

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N,N'-dioxidomethanediamine?
The IUPAC name of N'-ethyl-N-methyl-N,N'-dioxidomethanediamine (CID 163436246) is N'-ethyl-N-methyl-N,N'-dioxidomethanediamine.
What is the SMILES notation for N'-ethyl-N-methyl-N,N'-dioxidomethanediamine?
The canonical SMILES for N'-ethyl-N-methyl-N,N'-dioxidomethanediamine is CCN([O-])CN(C)[O-].
What is the InChIKey of N'-ethyl-N-methyl-N,N'-dioxidomethanediamine?
The InChIKey is WTHAUZFEDPUUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3/q-2.
What are the key properties of N'-ethyl-N-methyl-N,N'-dioxidomethanediamine?
N'-ethyl-N-methyl-N,N'-dioxidomethanediamine has a molecular weight of 118.14 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N,N'-dioxidomethanediamine is sourced from PubChem (CID 163436246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).