8-pentan-2-yl-5,6,7,8-tetrahydroquinoline

C14H21N — CID 67125718

IUPAC8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCCCC(C)C1CCCc2cccnc21
InChIInChI=1S/C14H21N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3
InChIKeyPZZKRPMZEDIAIC-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.94
Rot. Bonds3

About 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline

8-pentan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 67125718) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID67125718
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCCCC(C)C1CCCc2cccnc21
InChIInChI=1S/C14H21N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3
InChIKeyPZZKRPMZEDIAIC-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
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
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
2-methoxy-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-1-amine
CID 116718864
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588

Frequently Asked Questions

What is the IUPAC name of 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline (CID 67125718) is 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline is CCCC(C)C1CCCc2cccnc21.
What is the InChIKey of 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is PZZKRPMZEDIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-6-11(2)13-9-4-7-12-8-5-10-15-14(12)13/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3.
What are the key properties of 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline?
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 67125718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).