(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine

C13H18N2 — CID 134216996

IUPAC(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine
SMILES[H]/N=C/C1=C(C)C=C2CCNCC2(C=C)C1
InChIInChI=1S/C13H18N2/c1-3-13-7-11(8-14)10(2)6-12(13)4-5-15-9-13/h3,6,8,14-15H,1,4-5,7,9H2,2H3/b14-8+
InChIKeyYMTQSBSLXWCDMK-RIYZIHGNSA-N
MW202.30 g/mol
LogP2.45
Rot. Bonds2

About (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine

(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine (PubChem CID 134216996) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine.

Molecular Properties

Compound Name(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine
PubChem CID134216996
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine
SMILES[H]/N=C/C1=C(C)C=C2CCNCC2(C=C)C1
InChIInChI=1S/C13H18N2/c1-3-13-7-11(8-14)10(2)6-12(13)4-5-15-9-13/h3,6,8,14-15H,1,4-5,7,9H2,2H3/b14-8+
InChIKeyYMTQSBSLXWCDMK-RIYZIHGNSA-N
XLogP2.45
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine?
The IUPAC name of (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine (CID 134216996) is (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine.
What is the SMILES notation for (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine?
The canonical SMILES for (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine is [H]/N=C/C1=C(C)C=C2CCNCC2(C=C)C1.
What is the InChIKey of (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine?
The InChIKey is YMTQSBSLXWCDMK-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-13-7-11(8-14)10(2)6-12(13)4-5-15-9-13/h3,6,8,14-15H,1,4-5,7,9H2,2H3/b14-8+.
What are the key properties of (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine?
(8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine has a molecular weight of 202.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8a-ethenyl-6-methyl-2,3,4,8-tetrahydro-1H-isoquinolin-7-yl)methanimine is sourced from PubChem (CID 134216996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).