2-methyl-3,4-dihydroisoquinolin-8-imine

C10H12N2 — CID 11829735

IUPAC2-methyl-3,4-dihydroisoquinolin-8-imine
SMILES[H]/N=C1\C=CC=C2CCN(C)C=C21
InChIInChI=1S/C10H12N2/c1-12-6-5-8-3-2-4-10(11)9(8)7-12/h2-4,7,11H,5-6H2,1H3/b11-10+
InChIKeyNAOLIUHJUBYWTG-ZHACJKMWSA-N
MW160.22 g/mol
LogP1.72
Rot. Bonds

About 2-methyl-3,4-dihydroisoquinolin-8-imine

2-methyl-3,4-dihydroisoquinolin-8-imine (PubChem CID 11829735) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-3,4-dihydroisoquinolin-8-imine.

Molecular Properties

Compound Name2-methyl-3,4-dihydroisoquinolin-8-imine
PubChem CID11829735
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-methyl-3,4-dihydroisoquinolin-8-imine
SMILES[H]/N=C1\C=CC=C2CCN(C)C=C21
InChIInChI=1S/C10H12N2/c1-12-6-5-8-3-2-4-10(11)9(8)7-12/h2-4,7,11H,5-6H2,1H3/b11-10+
InChIKeyNAOLIUHJUBYWTG-ZHACJKMWSA-N
XLogP1.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.72
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 2-methyl-3,4-dihydroisoquinolin-8-imine?
The IUPAC name of 2-methyl-3,4-dihydroisoquinolin-8-imine (CID 11829735) is 2-methyl-3,4-dihydroisoquinolin-8-imine.
What is the SMILES notation for 2-methyl-3,4-dihydroisoquinolin-8-imine?
The canonical SMILES for 2-methyl-3,4-dihydroisoquinolin-8-imine is [H]/N=C1\C=CC=C2CCN(C)C=C21.
What is the InChIKey of 2-methyl-3,4-dihydroisoquinolin-8-imine?
The InChIKey is NAOLIUHJUBYWTG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-6-5-8-3-2-4-10(11)9(8)7-12/h2-4,7,11H,5-6H2,1H3/b11-10+.
What are the key properties of 2-methyl-3,4-dihydroisoquinolin-8-imine?
2-methyl-3,4-dihydroisoquinolin-8-imine has a molecular weight of 160.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydroisoquinolin-8-imine is sourced from PubChem (CID 11829735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).