4-bromo-N,N-diethyl-1-methylimidazol-2-amine

C8H14BrN3 — CID 172992482

IUPAC4-bromo-N,N-diethyl-1-methylimidazol-2-amine
SMILESCCN(CC)c1nc(Br)cn1C
InChIInChI=1S/C8H14BrN3/c1-4-12(5-2)8-10-7(9)6-11(8)3/h6H,4-5H2,1-3H3
InChIKeyGTZKLONGQZPFMF-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.03
Rot. Bonds3

About 4-bromo-N,N-diethyl-1-methylimidazol-2-amine

4-bromo-N,N-diethyl-1-methylimidazol-2-amine (PubChem CID 172992482) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-1-methylimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-1-methylimidazol-2-amine
PubChem CID172992482
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name4-bromo-N,N-diethyl-1-methylimidazol-2-amine
SMILESCCN(CC)c1nc(Br)cn1C
InChIInChI=1S/C8H14BrN3/c1-4-12(5-2)8-10-7(9)6-11(8)3/h6H,4-5H2,1-3H3
InChIKeyGTZKLONGQZPFMF-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-1-methylimidazol-2-amine?
The IUPAC name of 4-bromo-N,N-diethyl-1-methylimidazol-2-amine (CID 172992482) is 4-bromo-N,N-diethyl-1-methylimidazol-2-amine.
What is the SMILES notation for 4-bromo-N,N-diethyl-1-methylimidazol-2-amine?
The canonical SMILES for 4-bromo-N,N-diethyl-1-methylimidazol-2-amine is CCN(CC)c1nc(Br)cn1C.
What is the InChIKey of 4-bromo-N,N-diethyl-1-methylimidazol-2-amine?
The InChIKey is GTZKLONGQZPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-4-12(5-2)8-10-7(9)6-11(8)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N,N-diethyl-1-methylimidazol-2-amine?
4-bromo-N,N-diethyl-1-methylimidazol-2-amine has a molecular weight of 232.12 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-1-methylimidazol-2-amine is sourced from PubChem (CID 172992482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).