2,3,8,8a-tetrahydro-1H-quinolin-7-imine

C9H12N2 — CID 154998707

IUPAC2,3,8,8a-tetrahydro-1H-quinolin-7-imine
SMILES[H]/N=C1\C=CC2=CCCNC2C1
InChIInChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h2-4,9-11H,1,5-6H2/b10-8+
InChIKeyMAJXFFYGKPBTHF-CSKARUKUSA-N
MW148.21 g/mol
LogP1.25
Rot. Bonds

About 2,3,8,8a-tetrahydro-1H-quinolin-7-imine

2,3,8,8a-tetrahydro-1H-quinolin-7-imine (PubChem CID 154998707) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3,8,8a-tetrahydro-1H-quinolin-7-imine.

Molecular Properties

Compound Name2,3,8,8a-tetrahydro-1H-quinolin-7-imine
PubChem CID154998707
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,3,8,8a-tetrahydro-1H-quinolin-7-imine
SMILES[H]/N=C1\C=CC2=CCCNC2C1
InChIInChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h2-4,9-11H,1,5-6H2/b10-8+
InChIKeyMAJXFFYGKPBTHF-CSKARUKUSA-N
XLogP1.25
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,8,8a-tetrahydro-1H-quinolin-7-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,8,8a-tetrahydro-1H-quinolin-7-imine?
The IUPAC name of 2,3,8,8a-tetrahydro-1H-quinolin-7-imine (CID 154998707) is 2,3,8,8a-tetrahydro-1H-quinolin-7-imine.
What is the SMILES notation for 2,3,8,8a-tetrahydro-1H-quinolin-7-imine?
The canonical SMILES for 2,3,8,8a-tetrahydro-1H-quinolin-7-imine is [H]/N=C1\C=CC2=CCCNC2C1.
What is the InChIKey of 2,3,8,8a-tetrahydro-1H-quinolin-7-imine?
The InChIKey is MAJXFFYGKPBTHF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h2-4,9-11H,1,5-6H2/b10-8+.
What are the key properties of 2,3,8,8a-tetrahydro-1H-quinolin-7-imine?
2,3,8,8a-tetrahydro-1H-quinolin-7-imine has a molecular weight of 148.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,8a-tetrahydro-1H-quinolin-7-imine is sourced from PubChem (CID 154998707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).