1-aminobutylideneazanium

C4H11N2+ — CID 6346884

IUPAC1-aminobutylideneazanium
SMILESCCCC(N)=[NH2+]
InChIInChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1
InChIKeyRXKUYBRRTKRGME-UHFFFAOYSA-O
MW87.15 g/mol
LogP-1.10
Rot. Bonds2

About 1-aminobutylideneazanium

1-aminobutylideneazanium (PubChem CID 6346884) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is 1-aminobutylideneazanium.

Molecular Properties

Compound Name1-aminobutylideneazanium
PubChem CID6346884
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Name1-aminobutylideneazanium
SMILESCCCC(N)=[NH2+]
InChIInChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1
InChIKeyRXKUYBRRTKRGME-UHFFFAOYSA-O
XLogP-1.10
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.10
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-aminobutylideneazanium?
The IUPAC name of 1-aminobutylideneazanium (CID 6346884) is 1-aminobutylideneazanium.
What is the SMILES notation for 1-aminobutylideneazanium?
The canonical SMILES for 1-aminobutylideneazanium is CCCC(N)=[NH2+].
What is the InChIKey of 1-aminobutylideneazanium?
The InChIKey is RXKUYBRRTKRGME-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1.
What are the key properties of 1-aminobutylideneazanium?
1-aminobutylideneazanium has a molecular weight of 87.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutylideneazanium is sourced from PubChem (CID 6346884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).