(1-amino-3-bromopropylidene)azanium

C3H8BrN2+ — CID 6346891

IUPAC(1-amino-3-bromopropylidene)azanium
SMILESNC(=[NH2+])CCBr
InChIInChI=1S/C3H7BrN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)/p+1
InChIKeyGOYXYAMYJQNFGE-UHFFFAOYSA-O
MW152.02 g/mol
LogP-1.11
Rot. Bonds2

About (1-amino-3-bromopropylidene)azanium

(1-amino-3-bromopropylidene)azanium (PubChem CID 6346891) has the molecular formula C3H8BrN2+ and a molecular weight of 152.02 g/mol. Its IUPAC name is (1-amino-3-bromopropylidene)azanium.

Molecular Properties

Compound Name(1-amino-3-bromopropylidene)azanium
PubChem CID6346891
Molecular FormulaC3H8BrN2+
Molecular Weight152.02 g/mol
Exact Mass150.99
IUPAC Name(1-amino-3-bromopropylidene)azanium
SMILESNC(=[NH2+])CCBr
InChIInChI=1S/C3H7BrN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)/p+1
InChIKeyGOYXYAMYJQNFGE-UHFFFAOYSA-O
XLogP-1.11
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.02
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-amino-3-bromopropylidene)azanium?
The IUPAC name of (1-amino-3-bromopropylidene)azanium (CID 6346891) is (1-amino-3-bromopropylidene)azanium.
What is the SMILES notation for (1-amino-3-bromopropylidene)azanium?
The canonical SMILES for (1-amino-3-bromopropylidene)azanium is NC(=[NH2+])CCBr.
What is the InChIKey of (1-amino-3-bromopropylidene)azanium?
The InChIKey is GOYXYAMYJQNFGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7BrN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)/p+1.
What are the key properties of (1-amino-3-bromopropylidene)azanium?
(1-amino-3-bromopropylidene)azanium has a molecular weight of 152.02 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-bromopropylidene)azanium is sourced from PubChem (CID 6346891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).