[[methylamino(oxido)azaniumyl]amino]ethane

C3H11N3O — CID 163729711

IUPAC[[methylamino(oxido)azaniumyl]amino]ethane
SMILESCCN[NH+]([O-])NC
InChIInChI=1S/C3H11N3O/c1-3-5-6(7)4-2/h4-6H,3H2,1-2H3
InChIKeyKYODNYMANDGQBA-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.97
Rot. Bonds3

About [[methylamino(oxido)azaniumyl]amino]ethane

[[methylamino(oxido)azaniumyl]amino]ethane (PubChem CID 163729711) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is [[methylamino(oxido)azaniumyl]amino]ethane.

Molecular Properties

Compound Name[[methylamino(oxido)azaniumyl]amino]ethane
PubChem CID163729711
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Name[[methylamino(oxido)azaniumyl]amino]ethane
SMILESCCN[NH+]([O-])NC
InChIInChI=1S/C3H11N3O/c1-3-5-6(7)4-2/h4-6H,3H2,1-2H3
InChIKeyKYODNYMANDGQBA-UHFFFAOYSA-N
XLogP-1.97
TPSA51.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[methylamino(oxido)azaniumyl]amino]ethane?
The IUPAC name of [[methylamino(oxido)azaniumyl]amino]ethane (CID 163729711) is [[methylamino(oxido)azaniumyl]amino]ethane.
What is the SMILES notation for [[methylamino(oxido)azaniumyl]amino]ethane?
The canonical SMILES for [[methylamino(oxido)azaniumyl]amino]ethane is CCN[NH+]([O-])NC.
What is the InChIKey of [[methylamino(oxido)azaniumyl]amino]ethane?
The InChIKey is KYODNYMANDGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O/c1-3-5-6(7)4-2/h4-6H,3H2,1-2H3.
What are the key properties of [[methylamino(oxido)azaniumyl]amino]ethane?
[[methylamino(oxido)azaniumyl]amino]ethane has a molecular weight of 105.14 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[methylamino(oxido)azaniumyl]amino]ethane is sourced from PubChem (CID 163729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).