ethyl(ethylaminomethylidene)azanium

C5H13N2+ — CID 22978932

IUPACethyl(ethylaminomethylidene)azanium
SMILESCCN/C=[NH+]/CC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7)/p+1
InChIKeyITRAGAZFCRSSBF-UHFFFAOYSA-O
MW101.17 g/mol
LogP-1.28
Rot. Bonds3

About ethyl(ethylaminomethylidene)azanium

ethyl(ethylaminomethylidene)azanium (PubChem CID 22978932) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is ethyl(ethylaminomethylidene)azanium.

Molecular Properties

Compound Nameethyl(ethylaminomethylidene)azanium
PubChem CID22978932
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Nameethyl(ethylaminomethylidene)azanium
SMILESCCN/C=[NH+]/CC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7)/p+1
InChIKeyITRAGAZFCRSSBF-UHFFFAOYSA-O
XLogP-1.28
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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 ethyl(ethylaminomethylidene)azanium?
The IUPAC name of ethyl(ethylaminomethylidene)azanium (CID 22978932) is ethyl(ethylaminomethylidene)azanium.
What is the SMILES notation for ethyl(ethylaminomethylidene)azanium?
The canonical SMILES for ethyl(ethylaminomethylidene)azanium is CCN/C=[NH+]/CC.
What is the InChIKey of ethyl(ethylaminomethylidene)azanium?
The InChIKey is ITRAGAZFCRSSBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3,(H,6,7)/p+1.
What are the key properties of ethyl(ethylaminomethylidene)azanium?
ethyl(ethylaminomethylidene)azanium has a molecular weight of 101.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(ethylaminomethylidene)azanium is sourced from PubChem (CID 22978932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).