ethyl(propan-2-ylidene)azanium

C5H12N+ — CID 58915956

IUPACethyl(propan-2-ylidene)azanium
SMILESCC[NH+]=C(C)C
InChIInChI=1S/C5H11N/c1-4-6-5(2)3/h4H2,1-3H3/p+1
InChIKeyOZMMUKDOYJJPHK-UHFFFAOYSA-O
MW86.16 g/mol
LogP-0.43
Rot. Bonds1

About ethyl(propan-2-ylidene)azanium

ethyl(propan-2-ylidene)azanium (PubChem CID 58915956) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is ethyl(propan-2-ylidene)azanium.

Molecular Properties

Compound Nameethyl(propan-2-ylidene)azanium
PubChem CID58915956
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Nameethyl(propan-2-ylidene)azanium
SMILESCC[NH+]=C(C)C
InChIInChI=1S/C5H11N/c1-4-6-5(2)3/h4H2,1-3H3/p+1
InChIKeyOZMMUKDOYJJPHK-UHFFFAOYSA-O
XLogP-0.43
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl(propan-2-ylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(propan-2-ylidene)azanium?
The IUPAC name of ethyl(propan-2-ylidene)azanium (CID 58915956) is ethyl(propan-2-ylidene)azanium.
What is the SMILES notation for ethyl(propan-2-ylidene)azanium?
The canonical SMILES for ethyl(propan-2-ylidene)azanium is CC[NH+]=C(C)C.
What is the InChIKey of ethyl(propan-2-ylidene)azanium?
The InChIKey is OZMMUKDOYJJPHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N/c1-4-6-5(2)3/h4H2,1-3H3/p+1.
What are the key properties of ethyl(propan-2-ylidene)azanium?
ethyl(propan-2-ylidene)azanium has a molecular weight of 86.16 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(propan-2-ylidene)azanium is sourced from PubChem (CID 58915956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).