N-benzyl-3,4-dihydro-1H-quinolin-2-imine

C16H16N2 — CID 135401669

IUPACN-benzyl-3,4-dihydro-1H-quinolin-2-imine
SMILESc1ccc(C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C16H16N2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-9H,10-12H2,(H,17,18)
InChIKeyYKMCNRXDJMXRJR-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.64
Rot. Bonds2

About N-benzyl-3,4-dihydro-1H-quinolin-2-imine

N-benzyl-3,4-dihydro-1H-quinolin-2-imine (PubChem CID 135401669) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-benzyl-3,4-dihydro-1H-quinolin-2-imine.

Molecular Properties

Compound NameN-benzyl-3,4-dihydro-1H-quinolin-2-imine
PubChem CID135401669
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-benzyl-3,4-dihydro-1H-quinolin-2-imine
SMILESc1ccc(C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C16H16N2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-9H,10-12H2,(H,17,18)
InChIKeyYKMCNRXDJMXRJR-UHFFFAOYSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-benzyl-3,4-dihydro-1H-quinolin-2-imine?
The IUPAC name of N-benzyl-3,4-dihydro-1H-quinolin-2-imine (CID 135401669) is N-benzyl-3,4-dihydro-1H-quinolin-2-imine.
What is the SMILES notation for N-benzyl-3,4-dihydro-1H-quinolin-2-imine?
The canonical SMILES for N-benzyl-3,4-dihydro-1H-quinolin-2-imine is c1ccc(C/N=C2\CCc3ccccc3N2)cc1.
What is the InChIKey of N-benzyl-3,4-dihydro-1H-quinolin-2-imine?
The InChIKey is YKMCNRXDJMXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-9H,10-12H2,(H,17,18).
What are the key properties of N-benzyl-3,4-dihydro-1H-quinolin-2-imine?
N-benzyl-3,4-dihydro-1H-quinolin-2-imine has a molecular weight of 236.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dihydro-1H-quinolin-2-imine is sourced from PubChem (CID 135401669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).