ethyl(methanidyl)azanium

C3H9N — CID 23378722

IUPACethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC
InChIInChI=1S/C3H9N/c1-3-4-2/h2-4H2,1H3
InChIKeyNHEDIVQHCCOELT-UHFFFAOYSA-N
MW59.11 g/mol
LogP-0.64
Rot. Bonds1

About ethyl(methanidyl)azanium

ethyl(methanidyl)azanium (PubChem CID 23378722) has the molecular formula C3H9N and a molecular weight of 59.11 g/mol. Its IUPAC name is ethyl(methanidyl)azanium.

Molecular Properties

Compound Nameethyl(methanidyl)azanium
PubChem CID23378722
Molecular FormulaC3H9N
Molecular Weight59.11 g/mol
Exact Mass59.07
IUPAC Nameethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC
InChIInChI=1S/C3H9N/c1-3-4-2/h2-4H2,1H3
InChIKeyNHEDIVQHCCOELT-UHFFFAOYSA-N
XLogP-0.64
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(methanidyl)azanium?
The IUPAC name of ethyl(methanidyl)azanium (CID 23378722) is ethyl(methanidyl)azanium.
What is the SMILES notation for ethyl(methanidyl)azanium?
The canonical SMILES for ethyl(methanidyl)azanium is [CH2-][NH2+]CC.
What is the InChIKey of ethyl(methanidyl)azanium?
The InChIKey is NHEDIVQHCCOELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N/c1-3-4-2/h2-4H2,1H3.
What are the key properties of ethyl(methanidyl)azanium?
ethyl(methanidyl)azanium has a molecular weight of 59.11 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methanidyl)azanium is sourced from PubChem (CID 23378722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).