(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine

C15H20N2 — CID 12614919

IUPAC(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESc1ccc(/N=C2\CCN[C@@H]3CCCC[C@@H]23)cc1
InChIInChI=1S/C15H20N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16H,4-5,8-11H2/b17-15+/t13-,14-/m1/s1
InChIKeyLSZWJPWBJIJRCT-HFVVVTKFSA-N
MW228.34 g/mol
LogP3.31
Rot. Bonds1

About (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine

(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (PubChem CID 12614919) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.

Molecular Properties

Compound Name(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
PubChem CID12614919
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESc1ccc(/N=C2\CCN[C@@H]3CCCC[C@@H]23)cc1
InChIInChI=1S/C15H20N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16H,4-5,8-11H2/b17-15+/t13-,14-/m1/s1
InChIKeyLSZWJPWBJIJRCT-HFVVVTKFSA-N
XLogP3.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.31
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 (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The IUPAC name of (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (CID 12614919) is (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.
What is the SMILES notation for (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The canonical SMILES for (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is c1ccc(/N=C2\CCN[C@@H]3CCCC[C@@H]23)cc1.
What is the InChIKey of (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The InChIKey is LSZWJPWBJIJRCT-HFVVVTKFSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16H,4-5,8-11H2/b17-15+/t13-,14-/m1/s1.
What are the key properties of (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
(4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine has a molecular weight of 228.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is sourced from PubChem (CID 12614919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).