1,3-dibromo-2-(bromomethyl)propan-2-amine

C4H8Br3N — CID 10018234

IUPAC1,3-dibromo-2-(bromomethyl)propan-2-amine
SMILESNC(CBr)(CBr)CBr
InChIInChI=1S/C4H8Br3N/c5-1-4(8,2-6)3-7/h1-3,8H2
InChIKeyKMGPPSIIXALZCZ-UHFFFAOYSA-N
MW309.83 g/mol
LogP1.87
Rot. Bonds3

About 1,3-dibromo-2-(bromomethyl)propan-2-amine

1,3-dibromo-2-(bromomethyl)propan-2-amine (PubChem CID 10018234) has the molecular formula C4H8Br3N and a molecular weight of 309.83 g/mol. Its IUPAC name is 1,3-dibromo-2-(bromomethyl)propan-2-amine.

Molecular Properties

Compound Name1,3-dibromo-2-(bromomethyl)propan-2-amine
PubChem CID10018234
Molecular FormulaC4H8Br3N
Molecular Weight309.83 g/mol
Exact Mass306.82
IUPAC Name1,3-dibromo-2-(bromomethyl)propan-2-amine
SMILESNC(CBr)(CBr)CBr
InChIInChI=1S/C4H8Br3N/c5-1-4(8,2-6)3-7/h1-3,8H2
InChIKeyKMGPPSIIXALZCZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(bromomethyl)propan-2-amine?
The IUPAC name of 1,3-dibromo-2-(bromomethyl)propan-2-amine (CID 10018234) is 1,3-dibromo-2-(bromomethyl)propan-2-amine.
What is the SMILES notation for 1,3-dibromo-2-(bromomethyl)propan-2-amine?
The canonical SMILES for 1,3-dibromo-2-(bromomethyl)propan-2-amine is NC(CBr)(CBr)CBr.
What is the InChIKey of 1,3-dibromo-2-(bromomethyl)propan-2-amine?
The InChIKey is KMGPPSIIXALZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br3N/c5-1-4(8,2-6)3-7/h1-3,8H2.
What are the key properties of 1,3-dibromo-2-(bromomethyl)propan-2-amine?
1,3-dibromo-2-(bromomethyl)propan-2-amine has a molecular weight of 309.83 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(bromomethyl)propan-2-amine is sourced from PubChem (CID 10018234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).