1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine

C11H16N2 — CID 134463819

IUPAC1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
SMILESC/N=C/C1CCCC2=C1N=CCC2
InChIInChI=1S/C11H16N2/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10/h7-8,10H,2-6H2,1H3/b12-8+
InChIKeyFWACROSVDKELEN-XYOKQWHBSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds1

About 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine

1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine (PubChem CID 134463819) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
PubChem CID134463819
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
SMILESC/N=C/C1CCCC2=C1N=CCC2
InChIInChI=1S/C11H16N2/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10/h7-8,10H,2-6H2,1H3/b12-8+
InChIKeyFWACROSVDKELEN-XYOKQWHBSA-N
XLogP2.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine?
The IUPAC name of 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine (CID 134463819) is 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine is C/N=C/C1CCCC2=C1N=CCC2.
What is the InChIKey of 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine?
The InChIKey is FWACROSVDKELEN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10/h7-8,10H,2-6H2,1H3/b12-8+.
What are the key properties of 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine?
1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine has a molecular weight of 176.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine is sourced from PubChem (CID 134463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).