N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine

C16H26N2 — CID 79738096

IUPACN-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
SMILESCCNC(C)CC(C)C1CCCc2cccnc21
InChIInChI=1S/C16H26N2/c1-4-17-13(3)11-12(2)15-9-5-7-14-8-6-10-18-16(14)15/h6,8,10,12-13,15,17H,4-5,7,9,11H2,1-3H3
InChIKeyWPGABSKWXDTHTP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine

N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine (PubChem CID 79738096) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
PubChem CID79738096
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
SMILESCCNC(C)CC(C)C1CCCc2cccnc21
InChIInChI=1S/C16H26N2/c1-4-17-13(3)11-12(2)15-9-5-7-14-8-6-10-18-16(14)15/h6,8,10,12-13,15,17H,4-5,7,9,11H2,1-3H3
InChIKeyWPGABSKWXDTHTP-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine with MolForge

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Related Compounds

8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
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
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
CID 105164757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine (CID 79738096) is N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine is CCNC(C)CC(C)C1CCCc2cccnc21.
What is the InChIKey of N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine?
The InChIKey is WPGABSKWXDTHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-13(3)11-12(2)15-9-5-7-14-8-6-10-18-16(14)15/h6,8,10,12-13,15,17H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine?
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine is sourced from PubChem (CID 79738096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).