1-aminoethylideneazanium

C2H7N2+ — CID 4214230

IUPAC1-aminoethylideneazanium
SMILESCC(N)=[NH2+]
InChIInChI=1S/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyOQLZINXFSUDMHM-UHFFFAOYSA-O
MW59.09 g/mol
LogP-1.88
Rot. Bonds

About 1-aminoethylideneazanium

1-aminoethylideneazanium (PubChem CID 4214230) has the molecular formula C2H7N2+ and a molecular weight of 59.09 g/mol. Its IUPAC name is 1-aminoethylideneazanium.

Molecular Properties

Compound Name1-aminoethylideneazanium
PubChem CID4214230
Molecular FormulaC2H7N2+
Molecular Weight59.09 g/mol
Exact Mass59.06
IUPAC Name1-aminoethylideneazanium
SMILESCC(N)=[NH2+]
InChIInChI=1S/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyOQLZINXFSUDMHM-UHFFFAOYSA-O
XLogP-1.88
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 5-1.88
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?
The IUPAC name of 1-aminoethylideneazanium (CID 4214230) is 1-aminoethylideneazanium.
What is the SMILES notation for 1-aminoethylideneazanium?
The canonical SMILES for 1-aminoethylideneazanium is CC(N)=[NH2+].
What is the InChIKey of 1-aminoethylideneazanium?
The InChIKey is OQLZINXFSUDMHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)/p+1.
What are the key properties of 1-aminoethylideneazanium?
1-aminoethylideneazanium has a molecular weight of 59.09 g/mol, XLogP of -1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylideneazanium is sourced from PubChem (CID 4214230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).