8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline

C41H61N3 — CID 67126899

IUPAC8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline
SMILESCCC(C)C1CCCc2cccnc21.CCC(CC)C1CCCc2cccnc21.CCCC(C)C1CCCc2cccnc21
InChIInChI=1S/2C14H21N.C13H19N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13;1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13;1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3;6,8,10-11,13H,3-5,7,9H2,1-2H3;5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyQBQKNGKQHMDLFH-UHFFFAOYSA-N
MW595.96 g/mol
LogP11.42
Rot. Bonds8

About 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline

8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 67126899) has the molecular formula C41H61N3 and a molecular weight of 595.96 g/mol. Its IUPAC name is 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline
PubChem CID67126899
Molecular FormulaC41H61N3
Molecular Weight595.96 g/mol
Exact Mass595.49
IUPAC Name8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline
SMILESCCC(C)C1CCCc2cccnc21.CCC(CC)C1CCCc2cccnc21.CCCC(C)C1CCCc2cccnc21
InChIInChI=1S/2C14H21N.C13H19N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13;1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13;1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3;6,8,10-11,13H,3-5,7,9H2,1-2H3;5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyQBQKNGKQHMDLFH-UHFFFAOYSA-N
XLogP11.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.96
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline 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

8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexylhydrazine
CID 105320905
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-1-amine
CID 79748892

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline (CID 67126899) is 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline is CCC(C)C1CCCc2cccnc21.CCC(CC)C1CCCc2cccnc21.CCCC(C)C1CCCc2cccnc21.
What is the InChIKey of 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is QBQKNGKQHMDLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H21N.C13H19N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13;1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13;1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3;6,8,10-11,13H,3-5,7,9H2,1-2H3;5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline?
8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 595.96 g/mol, XLogP of 11.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 67126899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).