[amino(ethoxy)methylidene]azanium

C3H9N2O+ — CID 51387632

IUPAC[amino(ethoxy)methylidene]azanium
SMILESCCOC(N)=[NH2+]
InChIInChI=1S/C3H8N2O/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyHEFJCHKCDAWHDQ-UHFFFAOYSA-O
MW89.12 g/mol
LogP-1.90
Rot. Bonds1

About [amino(ethoxy)methylidene]azanium

[amino(ethoxy)methylidene]azanium (PubChem CID 51387632) has the molecular formula C3H9N2O+ and a molecular weight of 89.12 g/mol. Its IUPAC name is [amino(ethoxy)methylidene]azanium.

Molecular Properties

Compound Name[amino(ethoxy)methylidene]azanium
PubChem CID51387632
Molecular FormulaC3H9N2O+
Molecular Weight89.12 g/mol
Exact Mass89.07
IUPAC Name[amino(ethoxy)methylidene]azanium
SMILESCCOC(N)=[NH2+]
InChIInChI=1S/C3H8N2O/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyHEFJCHKCDAWHDQ-UHFFFAOYSA-O
XLogP-1.90
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 5-1.90
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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Related Compounds

[amino(methoxy)methylidene]azanium
CID 12946830
3,4-diethoxyhexa-2,4-diene
CID 141009141
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
acetaldehyde;ethyl carbamate
CID 23340289
ethyl carbamate;platinum
CID 174699937
ethyl carbamate;(E)-2-methylbut-2-enoic acid
CID 22492613
2-ethoxybut-2-ene;silane
CID 174428196
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl carbamate;oxotitanium
CID 174887508

Frequently Asked Questions

What is the IUPAC name of [amino(ethoxy)methylidene]azanium?
The IUPAC name of [amino(ethoxy)methylidene]azanium (CID 51387632) is [amino(ethoxy)methylidene]azanium.
What is the SMILES notation for [amino(ethoxy)methylidene]azanium?
The canonical SMILES for [amino(ethoxy)methylidene]azanium is CCOC(N)=[NH2+].
What is the InChIKey of [amino(ethoxy)methylidene]azanium?
The InChIKey is HEFJCHKCDAWHDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2O/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/p+1.
What are the key properties of [amino(ethoxy)methylidene]azanium?
[amino(ethoxy)methylidene]azanium has a molecular weight of 89.12 g/mol, XLogP of -1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethoxy)methylidene]azanium is sourced from PubChem (CID 51387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).