[amino(methoxy)methylidene]azanium

C2H7N2O+ — CID 12946830

IUPAC[amino(methoxy)methylidene]azanium
SMILESCOC(N)=[NH2+]
InChIInChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyRMAHPRNLQIRHIJ-UHFFFAOYSA-O
MW75.09 g/mol
LogP-2.29
Rot. Bonds

About [amino(methoxy)methylidene]azanium

[amino(methoxy)methylidene]azanium (PubChem CID 12946830) has the molecular formula C2H7N2O+ and a molecular weight of 75.09 g/mol. Its IUPAC name is [amino(methoxy)methylidene]azanium.

Molecular Properties

Compound Name[amino(methoxy)methylidene]azanium
PubChem CID12946830
Molecular FormulaC2H7N2O+
Molecular Weight75.09 g/mol
Exact Mass75.06
IUPAC Name[amino(methoxy)methylidene]azanium
SMILESCOC(N)=[NH2+]
InChIInChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyRMAHPRNLQIRHIJ-UHFFFAOYSA-O
XLogP-2.29
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(methoxy)methylidene]azanium?
The IUPAC name of [amino(methoxy)methylidene]azanium (CID 12946830) is [amino(methoxy)methylidene]azanium.
What is the SMILES notation for [amino(methoxy)methylidene]azanium?
The canonical SMILES for [amino(methoxy)methylidene]azanium is COC(N)=[NH2+].
What is the InChIKey of [amino(methoxy)methylidene]azanium?
The InChIKey is RMAHPRNLQIRHIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)/p+1.
What are the key properties of [amino(methoxy)methylidene]azanium?
[amino(methoxy)methylidene]azanium has a molecular weight of 75.09 g/mol, XLogP of -2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methoxy)methylidene]azanium is sourced from PubChem (CID 12946830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).