4,5,6,7-tetrahydro-3H-quinolin-8-imine

C9H12N2 — CID 134463793

IUPAC4,5,6,7-tetrahydro-3H-quinolin-8-imine
SMILES[H]/N=C1\CCCC2=C1N=CCC2
InChIInChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h6,10H,1-5H2/b10-8+
InChIKeyMAJLKAUQLPTVIO-CSKARUKUSA-N
MW148.21 g/mol
LogP2.31
Rot. Bonds

About 4,5,6,7-tetrahydro-3H-quinolin-8-imine

4,5,6,7-tetrahydro-3H-quinolin-8-imine (PubChem CID 134463793) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-quinolin-8-imine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-quinolin-8-imine
PubChem CID134463793
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4,5,6,7-tetrahydro-3H-quinolin-8-imine
SMILES[H]/N=C1\CCCC2=C1N=CCC2
InChIInChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h6,10H,1-5H2/b10-8+
InChIKeyMAJLKAUQLPTVIO-CSKARUKUSA-N
XLogP2.31
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 4,5,6,7-tetrahydro-3H-quinolin-8-imine?
The IUPAC name of 4,5,6,7-tetrahydro-3H-quinolin-8-imine (CID 134463793) is 4,5,6,7-tetrahydro-3H-quinolin-8-imine.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-quinolin-8-imine?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-quinolin-8-imine is [H]/N=C1\CCCC2=C1N=CCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-quinolin-8-imine?
The InChIKey is MAJLKAUQLPTVIO-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h6,10H,1-5H2/b10-8+.
What are the key properties of 4,5,6,7-tetrahydro-3H-quinolin-8-imine?
4,5,6,7-tetrahydro-3H-quinolin-8-imine has a molecular weight of 148.21 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-quinolin-8-imine is sourced from PubChem (CID 134463793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).