3-aminopropanimidamide;dihydrobromide

C3H11Br2N3 — CID 12715905

IUPAC3-aminopropanimidamide;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyMBQGYBLOZIMLOH-UHFFFAOYSA-N
MW248.95 g/mol
LogP0.43
Rot. Bonds2

About 3-aminopropanimidamide;dihydrobromide

3-aminopropanimidamide;dihydrobromide (PubChem CID 12715905) has the molecular formula C3H11Br2N3 and a molecular weight of 248.95 g/mol. Its IUPAC name is 3-aminopropanimidamide;dihydrobromide.

Molecular Properties

Compound Name3-aminopropanimidamide;dihydrobromide
PubChem CID12715905
Molecular FormulaC3H11Br2N3
Molecular Weight248.95 g/mol
Exact Mass246.93
IUPAC Name3-aminopropanimidamide;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyMBQGYBLOZIMLOH-UHFFFAOYSA-N
XLogP0.43
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.95
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-aminopropanimidamide;dihydrobromide?
The IUPAC name of 3-aminopropanimidamide;dihydrobromide (CID 12715905) is 3-aminopropanimidamide;dihydrobromide.
What is the SMILES notation for 3-aminopropanimidamide;dihydrobromide?
The canonical SMILES for 3-aminopropanimidamide;dihydrobromide is Br.Br.[H]/N=C(\N)CCN.
What is the InChIKey of 3-aminopropanimidamide;dihydrobromide?
The InChIKey is MBQGYBLOZIMLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H.
What are the key properties of 3-aminopropanimidamide;dihydrobromide?
3-aminopropanimidamide;dihydrobromide has a molecular weight of 248.95 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanimidamide;dihydrobromide is sourced from PubChem (CID 12715905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).