1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

C13H20N2 — CID 79748417

IUPAC1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCCC(N)C1CCCc2cccnc21
InChIInChI=1S/C13H20N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h4,7,9,11-12H,2-3,5-6,8,14H2,1H3
InChIKeyNHRACUDOCWLOCT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.63
Rot. Bonds3

About 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (PubChem CID 79748417) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
PubChem CID79748417
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCCC(N)C1CCCc2cccnc21
InChIInChI=1S/C13H20N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h4,7,9,11-12H,2-3,5-6,8,14H2,1H3
InChIKeyNHRACUDOCWLOCT-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
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)hexylhydrazine
CID 105320905
2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 116759628
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 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (CID 79748417) is 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The canonical SMILES for 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is CCCC(N)C1CCCc2cccnc21.
What is the InChIKey of 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The InChIKey is NHRACUDOCWLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h4,7,9,11-12H,2-3,5-6,8,14H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is sourced from PubChem (CID 79748417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).