1,2-dibromo-N,N-diethylbutan-2-amine

C8H17Br2N — CID 140548713

IUPAC1,2-dibromo-N,N-diethylbutan-2-amine
SMILESCCN(CC)C(Br)(CC)CBr
InChIInChI=1S/C8H17Br2N/c1-4-8(10,7-9)11(5-2)6-3/h4-7H2,1-3H3
InChIKeyDTXSZLQJSXZYIR-UHFFFAOYSA-N
MW287.04 g/mol
LogP3.22
Rot. Bonds5

About 1,2-dibromo-N,N-diethylbutan-2-amine

1,2-dibromo-N,N-diethylbutan-2-amine (PubChem CID 140548713) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is 1,2-dibromo-N,N-diethylbutan-2-amine.

Molecular Properties

Compound Name1,2-dibromo-N,N-diethylbutan-2-amine
PubChem CID140548713
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC Name1,2-dibromo-N,N-diethylbutan-2-amine
SMILESCCN(CC)C(Br)(CC)CBr
InChIInChI=1S/C8H17Br2N/c1-4-8(10,7-9)11(5-2)6-3/h4-7H2,1-3H3
InChIKeyDTXSZLQJSXZYIR-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dibromo-N,N-diethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
CID 175352703
1-N,1-N,1-N',1-N',1-N",1-N"-hexaethylpropane-1,1,1-triamine
CID 174059881
1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine
CID 141392832
2-methylbutan-2-ol;1,1,2-tribromoethanol
CID 174782089
3-N,3-N,3-N',3-N'-tetraethyl-2-silylpent-1-ene-3,3-diamine
CID 173017031
N,N,3-triethylhex-4-yn-3-amine
CID 173345718
N,N-diethylethanamine;ethane
CID 22114990
2,3-dibromo-3-(bromomethyl)pentane
CID 134934066
1,1-dibromopropan-1-amine
CID 130016828
1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine
CID 18696277
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
N,N-diethyl-2-methylpropan-2-amine;dimethylsilane
CID 173297747

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-N,N-diethylbutan-2-amine?
The IUPAC name of 1,2-dibromo-N,N-diethylbutan-2-amine (CID 140548713) is 1,2-dibromo-N,N-diethylbutan-2-amine.
What is the SMILES notation for 1,2-dibromo-N,N-diethylbutan-2-amine?
The canonical SMILES for 1,2-dibromo-N,N-diethylbutan-2-amine is CCN(CC)C(Br)(CC)CBr.
What is the InChIKey of 1,2-dibromo-N,N-diethylbutan-2-amine?
The InChIKey is DTXSZLQJSXZYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Br2N/c1-4-8(10,7-9)11(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of 1,2-dibromo-N,N-diethylbutan-2-amine?
1,2-dibromo-N,N-diethylbutan-2-amine has a molecular weight of 287.04 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-N,N-diethylbutan-2-amine is sourced from PubChem (CID 140548713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).