5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine

C15H23Br2N — CID 65304999

IUPAC5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine
SMILESCCNCCC(C)(C)CCc1cc(Br)ccc1Br
InChIInChI=1S/C15H23Br2N/c1-4-18-10-9-15(2,3)8-7-12-11-13(16)5-6-14(12)17/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyQYXYQLSBWDESGT-UHFFFAOYSA-N
MW377.16 g/mol
LogP5.17
Rot. Bonds7

About 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine

5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine (PubChem CID 65304999) has the molecular formula C15H23Br2N and a molecular weight of 377.16 g/mol. Its IUPAC name is 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine
PubChem CID65304999
Molecular FormulaC15H23Br2N
Molecular Weight377.16 g/mol
Exact Mass375.02
IUPAC Name5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine
SMILESCCNCCC(C)(C)CCc1cc(Br)ccc1Br
InChIInChI=1S/C15H23Br2N/c1-4-18-10-9-15(2,3)8-7-12-11-13(16)5-6-14(12)17/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyQYXYQLSBWDESGT-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.16
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine (CID 65304999) is 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine is CCNCCC(C)(C)CCc1cc(Br)ccc1Br.
What is the InChIKey of 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The InChIKey is QYXYQLSBWDESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N/c1-4-18-10-9-15(2,3)8-7-12-11-13(16)5-6-14(12)17/h5-6,11,18H,4,7-10H2,1-3H3.
What are the key properties of 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine has a molecular weight of 377.16 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromophenyl)-N-ethyl-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).