1-aminoethylideneazanium chloride

C2H7ClN2 — CID 172512336

IUPAC1-aminoethylideneazanium chloride
SMILESCC(N)=[NH2+].[Cl-]
InChIInChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyWCQOBLXWLRDEQA-UHFFFAOYSA-N
MW94.55 g/mol
LogP-4.87
Rot. Bonds

About 1-aminoethylideneazanium chloride

1-aminoethylideneazanium chloride (PubChem CID 172512336) has the molecular formula C2H7ClN2 and a molecular weight of 94.55 g/mol. Its IUPAC name is 1-aminoethylideneazanium chloride.

Molecular Properties

Compound Name1-aminoethylideneazanium chloride
PubChem CID172512336
Molecular FormulaC2H7ClN2
Molecular Weight94.55 g/mol
Exact Mass94.03
IUPAC Name1-aminoethylideneazanium chloride
SMILESCC(N)=[NH2+].[Cl-]
InChIInChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyWCQOBLXWLRDEQA-UHFFFAOYSA-N
XLogP-4.87
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.55
LogP ≤ 5-4.87
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 1-aminoethylideneazanium chloride?
The IUPAC name of 1-aminoethylideneazanium chloride (CID 172512336) is 1-aminoethylideneazanium chloride.
What is the SMILES notation for 1-aminoethylideneazanium chloride?
The canonical SMILES for 1-aminoethylideneazanium chloride is CC(N)=[NH2+].[Cl-].
What is the InChIKey of 1-aminoethylideneazanium chloride?
The InChIKey is WCQOBLXWLRDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H.
What are the key properties of 1-aminoethylideneazanium chloride?
1-aminoethylideneazanium chloride has a molecular weight of 94.55 g/mol, XLogP of -4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylideneazanium chloride is sourced from PubChem (CID 172512336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).