4a,5,6,7-tetrahydro-2H-quinolin-8-imine

C9H12N2 — CID 57154891

IUPAC4a,5,6,7-tetrahydro-2H-quinolin-8-imine
SMILES[H]/N=C1\CCCC2C=CCN=C12
InChIInChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,7,10H,1,3,5-6H2/b10-8+
InChIKeyGRVXDZGRGHLNRK-CSKARUKUSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds

About 4a,5,6,7-tetrahydro-2H-quinolin-8-imine

4a,5,6,7-tetrahydro-2H-quinolin-8-imine (PubChem CID 57154891) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4a,5,6,7-tetrahydro-2H-quinolin-8-imine.

Molecular Properties

Compound Name4a,5,6,7-tetrahydro-2H-quinolin-8-imine
PubChem CID57154891
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4a,5,6,7-tetrahydro-2H-quinolin-8-imine
SMILES[H]/N=C1\CCCC2C=CCN=C12
InChIInChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,7,10H,1,3,5-6H2/b10-8+
InChIKeyGRVXDZGRGHLNRK-CSKARUKUSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57068546
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5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
2,4a,5,6-Tetrahydroquinoline
CID 70148575
2,4a,7,8-Tetrahydroquinoline
CID 90750149
6-Ethenyl-2,3,5,6,7,8-hexahydroquinoxaline
CID 90820488
2,4a,5,8-Tetrahydroquinoline
CID 90920243
4a,5,8,8a-tetrahydro-3H-quinolin-4-imine
CID 91111457
2,4a,5,6,7,8-Hexahydroquinoline
CID 91181113
N-[(2E)-hepta-2,6-dienyl]-4-methylcyclohexan-1-imine
CID 168961681
2,4a,5,6-Tetrahydroquinolin-1-ium
CID 173072117

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7-tetrahydro-2H-quinolin-8-imine?
The IUPAC name of 4a,5,6,7-tetrahydro-2H-quinolin-8-imine (CID 57154891) is 4a,5,6,7-tetrahydro-2H-quinolin-8-imine.
What is the SMILES notation for 4a,5,6,7-tetrahydro-2H-quinolin-8-imine?
The canonical SMILES for 4a,5,6,7-tetrahydro-2H-quinolin-8-imine is [H]/N=C1\CCCC2C=CCN=C12.
What is the InChIKey of 4a,5,6,7-tetrahydro-2H-quinolin-8-imine?
The InChIKey is GRVXDZGRGHLNRK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,7,10H,1,3,5-6H2/b10-8+.
What are the key properties of 4a,5,6,7-tetrahydro-2H-quinolin-8-imine?
4a,5,6,7-tetrahydro-2H-quinolin-8-imine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7-tetrahydro-2H-quinolin-8-imine is sourced from PubChem (CID 57154891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).