N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine

C12H14N2 — CID 90291882

IUPACN-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine
SMILESC=C/N=C1/C2C=CC=CC2C=CN1C
InChIInChI=1S/C12H14N2/c1-3-13-12-11-7-5-4-6-10(11)8-9-14(12)2/h3-11H,1H2,2H3/b13-12-
InChIKeyLEEKAPCGSQIPNX-SEYXRHQNSA-N
MW186.26 g/mol
LogP2.35
Rot. Bonds1

About N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine

N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine (PubChem CID 90291882) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine
PubChem CID90291882
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine
SMILESC=C/N=C1/C2C=CC=CC2C=CN1C
InChIInChI=1S/C12H14N2/c1-3-13-12-11-7-5-4-6-10(11)8-9-14(12)2/h3-11H,1H2,2H3/b13-12-
InChIKeyLEEKAPCGSQIPNX-SEYXRHQNSA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
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-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine?
The IUPAC name of N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine (CID 90291882) is N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine.
What is the SMILES notation for N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine?
The canonical SMILES for N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine is C=C/N=C1/C2C=CC=CC2C=CN1C.
What is the InChIKey of N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine?
The InChIKey is LEEKAPCGSQIPNX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-13-12-11-7-5-4-6-10(11)8-9-14(12)2/h3-11H,1H2,2H3/b13-12-.
What are the key properties of N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine?
N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine has a molecular weight of 186.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-4a,8a-dihydroisoquinolin-1-imine is sourced from PubChem (CID 90291882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).