2,3-dibromo-N,N-diethylpropan-1-amine

C7H15Br2N — CID 3025403

IUPAC2,3-dibromo-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(Br)CBr
InChIInChI=1S/C7H15Br2N/c1-3-10(4-2)6-7(9)5-8/h7H,3-6H2,1-2H3
InChIKeyQVPBZFNOUMSOCN-UHFFFAOYSA-N
MW273.01 g/mol
LogP2.49
Rot. Bonds5

About 2,3-dibromo-N,N-diethylpropan-1-amine

2,3-dibromo-N,N-diethylpropan-1-amine (PubChem CID 3025403) has the molecular formula C7H15Br2N and a molecular weight of 273.01 g/mol. Its IUPAC name is 2,3-dibromo-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2,3-dibromo-N,N-diethylpropan-1-amine
PubChem CID3025403
Molecular FormulaC7H15Br2N
Molecular Weight273.01 g/mol
Exact Mass270.96
IUPAC Name2,3-dibromo-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(Br)CBr
InChIInChI=1S/C7H15Br2N/c1-3-10(4-2)6-7(9)5-8/h7H,3-6H2,1-2H3
InChIKeyQVPBZFNOUMSOCN-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.01
LogP ≤ 52.49
H-Bond Donors ≤ 50
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-dibromo-N,N-diethylpropan-1-amine?
The IUPAC name of 2,3-dibromo-N,N-diethylpropan-1-amine (CID 3025403) is 2,3-dibromo-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2,3-dibromo-N,N-diethylpropan-1-amine?
The canonical SMILES for 2,3-dibromo-N,N-diethylpropan-1-amine is CCN(CC)CC(Br)CBr.
What is the InChIKey of 2,3-dibromo-N,N-diethylpropan-1-amine?
The InChIKey is QVPBZFNOUMSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Br2N/c1-3-10(4-2)6-7(9)5-8/h7H,3-6H2,1-2H3.
What are the key properties of 2,3-dibromo-N,N-diethylpropan-1-amine?
2,3-dibromo-N,N-diethylpropan-1-amine has a molecular weight of 273.01 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N,N-diethylpropan-1-amine is sourced from PubChem (CID 3025403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).