N-(2,3-dibromopropyl)-3-methylbutan-1-amine

C8H17Br2N — CID 3089109

IUPACN-(2,3-dibromopropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC(Br)CBr
InChIInChI=1S/C8H17Br2N/c1-7(2)3-4-11-6-8(10)5-9/h7-8,11H,3-6H2,1-2H3
InChIKeyXETRAUUUBYRHQX-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.78
Rot. Bonds6

About N-(2,3-dibromopropyl)-3-methylbutan-1-amine

N-(2,3-dibromopropyl)-3-methylbutan-1-amine (PubChem CID 3089109) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is N-(2,3-dibromopropyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dibromopropyl)-3-methylbutan-1-amine
PubChem CID3089109
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC NameN-(2,3-dibromopropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC(Br)CBr
InChIInChI=1S/C8H17Br2N/c1-7(2)3-4-11-6-8(10)5-9/h7-8,11H,3-6H2,1-2H3
InChIKeyXETRAUUUBYRHQX-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibromopropyl)-3-methylbutan-1-amine?
The IUPAC name of N-(2,3-dibromopropyl)-3-methylbutan-1-amine (CID 3089109) is N-(2,3-dibromopropyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(2,3-dibromopropyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(2,3-dibromopropyl)-3-methylbutan-1-amine is CC(C)CCNCC(Br)CBr.
What is the InChIKey of N-(2,3-dibromopropyl)-3-methylbutan-1-amine?
The InChIKey is XETRAUUUBYRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Br2N/c1-7(2)3-4-11-6-8(10)5-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-(2,3-dibromopropyl)-3-methylbutan-1-amine?
N-(2,3-dibromopropyl)-3-methylbutan-1-amine has a molecular weight of 287.04 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dibromopropyl)-3-methylbutan-1-amine is sourced from PubChem (CID 3089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).