[[dimethylamino(oxido)azaniumyl]amino]methane

C3H11N3O — CID 163926214

IUPAC[[dimethylamino(oxido)azaniumyl]amino]methane
SMILESCN[NH+]([O-])N(C)C
InChIInChI=1S/C3H11N3O/c1-4-6(7)5(2)3/h4,6H,1-3H3
InChIKeyRERTZMYWAXKKAB-UHFFFAOYSA-N
MW105.14 g/mol
LogP-2.02
Rot. Bonds2

About [[dimethylamino(oxido)azaniumyl]amino]methane

[[dimethylamino(oxido)azaniumyl]amino]methane (PubChem CID 163926214) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is [[dimethylamino(oxido)azaniumyl]amino]methane.

Molecular Properties

Compound Name[[dimethylamino(oxido)azaniumyl]amino]methane
PubChem CID163926214
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Name[[dimethylamino(oxido)azaniumyl]amino]methane
SMILESCN[NH+]([O-])N(C)C
InChIInChI=1S/C3H11N3O/c1-4-6(7)5(2)3/h4,6H,1-3H3
InChIKeyRERTZMYWAXKKAB-UHFFFAOYSA-N
XLogP-2.02
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
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 [[dimethylamino(oxido)azaniumyl]amino]methane?
The IUPAC name of [[dimethylamino(oxido)azaniumyl]amino]methane (CID 163926214) is [[dimethylamino(oxido)azaniumyl]amino]methane.
What is the SMILES notation for [[dimethylamino(oxido)azaniumyl]amino]methane?
The canonical SMILES for [[dimethylamino(oxido)azaniumyl]amino]methane is CN[NH+]([O-])N(C)C.
What is the InChIKey of [[dimethylamino(oxido)azaniumyl]amino]methane?
The InChIKey is RERTZMYWAXKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O/c1-4-6(7)5(2)3/h4,6H,1-3H3.
What are the key properties of [[dimethylamino(oxido)azaniumyl]amino]methane?
[[dimethylamino(oxido)azaniumyl]amino]methane has a molecular weight of 105.14 g/mol, XLogP of -2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethylamino(oxido)azaniumyl]amino]methane is sourced from PubChem (CID 163926214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).