2-bromopropanimidamide

C3H7BrN2 — CID 4136188

IUPAC2-bromopropanimidamide
SMILES[H]/N=C(\N)C(C)Br
InChIInChI=1S/C3H7BrN2/c1-2(4)3(5)6/h2H,1H3,(H3,5,6)
InChIKeyYMHRKSPCWUBBSS-UHFFFAOYSA-N
MW151.01 g/mol
LogP0.71
Rot. Bonds1

About 2-bromopropanimidamide

2-bromopropanimidamide (PubChem CID 4136188) has the molecular formula C3H7BrN2 and a molecular weight of 151.01 g/mol. Its IUPAC name is 2-bromopropanimidamide.

Molecular Properties

Compound Name2-bromopropanimidamide
PubChem CID4136188
Molecular FormulaC3H7BrN2
Molecular Weight151.01 g/mol
Exact Mass149.98
IUPAC Name2-bromopropanimidamide
SMILES[H]/N=C(\N)C(C)Br
InChIInChI=1S/C3H7BrN2/c1-2(4)3(5)6/h2H,1H3,(H3,5,6)
InChIKeyYMHRKSPCWUBBSS-UHFFFAOYSA-N
XLogP0.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.01
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-bromopropanimidamide?
The IUPAC name of 2-bromopropanimidamide (CID 4136188) is 2-bromopropanimidamide.
What is the SMILES notation for 2-bromopropanimidamide?
The canonical SMILES for 2-bromopropanimidamide is [H]/N=C(\N)C(C)Br.
What is the InChIKey of 2-bromopropanimidamide?
The InChIKey is YMHRKSPCWUBBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrN2/c1-2(4)3(5)6/h2H,1H3,(H3,5,6).
What are the key properties of 2-bromopropanimidamide?
2-bromopropanimidamide has a molecular weight of 151.01 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropanimidamide is sourced from PubChem (CID 4136188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).