8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline

C15H22BrN — CID 79738706

IUPAC8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(Br)CC(C)(C)C1CCCc2cccnc21
InChIInChI=1S/C15H22BrN/c1-11(16)10-15(2,3)13-8-4-6-12-7-5-9-17-14(12)13/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyBZYLFEDNEOMJIA-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.70
Rot. Bonds3

About 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline

8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 79738706) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID79738706
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(Br)CC(C)(C)C1CCCc2cccnc21
InChIInChI=1S/C15H22BrN/c1-11(16)10-15(2,3)13-8-4-6-12-7-5-9-17-14(12)13/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyBZYLFEDNEOMJIA-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylpentan-2-amine
CID 79738392
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79745553
1-(cyclopropylamino)-2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79738513
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline (CID 79738706) is 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline is CC(Br)CC(C)(C)C1CCCc2cccnc21.
What is the InChIKey of 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is BZYLFEDNEOMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11(16)10-15(2,3)13-8-4-6-12-7-5-9-17-14(12)13/h5,7,9,11,13H,4,6,8,10H2,1-3H3.
What are the key properties of 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline?
8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 296.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 79738706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).