1-(6,7-dihydroquinolin-8-yl)ethanamine

C11H14N2 — CID 123804240

IUPAC1-(6,7-dihydroquinolin-8-yl)ethanamine
SMILESCC(N)C1=c2ncccc2=CCC1
InChIInChI=1S/C11H14N2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h3-5,7-8H,2,6,12H2,1H3
InChIKeyCBKAHGYKKGBDOW-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.15
Rot. Bonds1

About 1-(6,7-dihydroquinolin-8-yl)ethanamine

1-(6,7-dihydroquinolin-8-yl)ethanamine (PubChem CID 123804240) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(6,7-dihydroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydroquinolin-8-yl)ethanamine
PubChem CID123804240
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(6,7-dihydroquinolin-8-yl)ethanamine
SMILESCC(N)C1=c2ncccc2=CCC1
InChIInChI=1S/C11H14N2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h3-5,7-8H,2,6,12H2,1H3
InChIKeyCBKAHGYKKGBDOW-UHFFFAOYSA-N
XLogP0.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydroquinolin-8-yl)ethanamine?
The IUPAC name of 1-(6,7-dihydroquinolin-8-yl)ethanamine (CID 123804240) is 1-(6,7-dihydroquinolin-8-yl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydroquinolin-8-yl)ethanamine?
The canonical SMILES for 1-(6,7-dihydroquinolin-8-yl)ethanamine is CC(N)C1=c2ncccc2=CCC1.
What is the InChIKey of 1-(6,7-dihydroquinolin-8-yl)ethanamine?
The InChIKey is CBKAHGYKKGBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h3-5,7-8H,2,6,12H2,1H3.
What are the key properties of 1-(6,7-dihydroquinolin-8-yl)ethanamine?
1-(6,7-dihydroquinolin-8-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydroquinolin-8-yl)ethanamine is sourced from PubChem (CID 123804240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).