1-aminopropylideneazanium

C3H9N2+ — CID 6346752

IUPAC1-aminopropylideneazanium
SMILESCCC(N)=[NH2+]
InChIInChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyGNFWGDKKNWGGJY-UHFFFAOYSA-O
MW73.12 g/mol
LogP-1.49
Rot. Bonds1

About 1-aminopropylideneazanium

1-aminopropylideneazanium (PubChem CID 6346752) has the molecular formula C3H9N2+ and a molecular weight of 73.12 g/mol. Its IUPAC name is 1-aminopropylideneazanium.

Molecular Properties

Compound Name1-aminopropylideneazanium
PubChem CID6346752
Molecular FormulaC3H9N2+
Molecular Weight73.12 g/mol
Exact Mass73.08
IUPAC Name1-aminopropylideneazanium
SMILESCCC(N)=[NH2+]
InChIInChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1
InChIKeyGNFWGDKKNWGGJY-UHFFFAOYSA-O
XLogP-1.49
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.12
LogP ≤ 5-1.49
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-aminopropylideneazanium?
The IUPAC name of 1-aminopropylideneazanium (CID 6346752) is 1-aminopropylideneazanium.
What is the SMILES notation for 1-aminopropylideneazanium?
The canonical SMILES for 1-aminopropylideneazanium is CCC(N)=[NH2+].
What is the InChIKey of 1-aminopropylideneazanium?
The InChIKey is GNFWGDKKNWGGJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1.
What are the key properties of 1-aminopropylideneazanium?
1-aminopropylideneazanium has a molecular weight of 73.12 g/mol, XLogP of -1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropylideneazanium is sourced from PubChem (CID 6346752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).