dimethyl-[2-(methylideneamino)oxyethyl]azanium

C5H13N2O+ — CID 59636279

IUPACdimethyl-[2-(methylideneamino)oxyethyl]azanium
SMILESC=NOCC[NH+](C)C
InChIInChI=1S/C5H12N2O/c1-6-8-5-4-7(2)3/h1,4-5H2,2-3H3/p+1
InChIKeyFFVFWDSTDYUHJQ-UHFFFAOYSA-O
MW117.17 g/mol
LogP-1.24
Rot. Bonds4

About dimethyl-[2-(methylideneamino)oxyethyl]azanium

dimethyl-[2-(methylideneamino)oxyethyl]azanium (PubChem CID 59636279) has the molecular formula C5H13N2O+ and a molecular weight of 117.17 g/mol. Its IUPAC name is dimethyl-[2-(methylideneamino)oxyethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(methylideneamino)oxyethyl]azanium
PubChem CID59636279
Molecular FormulaC5H13N2O+
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Namedimethyl-[2-(methylideneamino)oxyethyl]azanium
SMILESC=NOCC[NH+](C)C
InChIInChI=1S/C5H12N2O/c1-6-8-5-4-7(2)3/h1,4-5H2,2-3H3/p+1
InChIKeyFFVFWDSTDYUHJQ-UHFFFAOYSA-O
XLogP-1.24
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(methylideneamino)oxyethyl]azanium?
The IUPAC name of dimethyl-[2-(methylideneamino)oxyethyl]azanium (CID 59636279) is dimethyl-[2-(methylideneamino)oxyethyl]azanium.
What is the SMILES notation for dimethyl-[2-(methylideneamino)oxyethyl]azanium?
The canonical SMILES for dimethyl-[2-(methylideneamino)oxyethyl]azanium is C=NOCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-(methylideneamino)oxyethyl]azanium?
The InChIKey is FFVFWDSTDYUHJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O/c1-6-8-5-4-7(2)3/h1,4-5H2,2-3H3/p+1.
What are the key properties of dimethyl-[2-(methylideneamino)oxyethyl]azanium?
dimethyl-[2-(methylideneamino)oxyethyl]azanium has a molecular weight of 117.17 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(methylideneamino)oxyethyl]azanium is sourced from PubChem (CID 59636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).