2,3,4,4-tetrabromobutan-1-amine

C4H7Br4N — CID 19431700

IUPAC2,3,4,4-tetrabromobutan-1-amine
SMILESNCC(Br)C(Br)C(Br)Br
InChIInChI=1S/C4H7Br4N/c5-2(1-9)3(6)4(7)8/h2-4H,1,9H2
InChIKeyLJAKPZCRIBRBHV-UHFFFAOYSA-N
MW388.72 g/mol
LogP2.59
Rot. Bonds3

About 2,3,4,4-tetrabromobutan-1-amine

2,3,4,4-tetrabromobutan-1-amine (PubChem CID 19431700) has the molecular formula C4H7Br4N and a molecular weight of 388.72 g/mol. Its IUPAC name is 2,3,4,4-tetrabromobutan-1-amine.

Molecular Properties

Compound Name2,3,4,4-tetrabromobutan-1-amine
PubChem CID19431700
Molecular FormulaC4H7Br4N
Molecular Weight388.72 g/mol
Exact Mass384.73
IUPAC Name2,3,4,4-tetrabromobutan-1-amine
SMILESNCC(Br)C(Br)C(Br)Br
InChIInChI=1S/C4H7Br4N/c5-2(1-9)3(6)4(7)8/h2-4H,1,9H2
InChIKeyLJAKPZCRIBRBHV-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.72
LogP ≤ 52.59
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 2,3,4,4-tetrabromobutan-1-amine?
The IUPAC name of 2,3,4,4-tetrabromobutan-1-amine (CID 19431700) is 2,3,4,4-tetrabromobutan-1-amine.
What is the SMILES notation for 2,3,4,4-tetrabromobutan-1-amine?
The canonical SMILES for 2,3,4,4-tetrabromobutan-1-amine is NCC(Br)C(Br)C(Br)Br.
What is the InChIKey of 2,3,4,4-tetrabromobutan-1-amine?
The InChIKey is LJAKPZCRIBRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br4N/c5-2(1-9)3(6)4(7)8/h2-4H,1,9H2.
What are the key properties of 2,3,4,4-tetrabromobutan-1-amine?
2,3,4,4-tetrabromobutan-1-amine has a molecular weight of 388.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetrabromobutan-1-amine is sourced from PubChem (CID 19431700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).