1-methyl-4a,8a-dihydroquinolin-4-imine

C10H12N2 — CID 163905803

IUPAC1-methyl-4a,8a-dihydroquinolin-4-imine
SMILES[H]/N=C1\C=CN(C)C2C=CC=CC12
InChIInChI=1S/C10H12N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-8,10-11H,1H3/b11-9+
InChIKeyQNUGEPYEUIWLLJ-PKNBQFBNSA-N
MW160.22 g/mol
LogP1.58
Rot. Bonds

About 1-methyl-4a,8a-dihydroquinolin-4-imine

1-methyl-4a,8a-dihydroquinolin-4-imine (PubChem CID 163905803) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-methyl-4a,8a-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-methyl-4a,8a-dihydroquinolin-4-imine
PubChem CID163905803
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-methyl-4a,8a-dihydroquinolin-4-imine
SMILES[H]/N=C1\C=CN(C)C2C=CC=CC12
InChIInChI=1S/C10H12N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-8,10-11H,1H3/b11-9+
InChIKeyQNUGEPYEUIWLLJ-PKNBQFBNSA-N
XLogP1.58
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 ≤ 51.58
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 1-methyl-4a,8a-dihydroquinolin-4-imine?
The IUPAC name of 1-methyl-4a,8a-dihydroquinolin-4-imine (CID 163905803) is 1-methyl-4a,8a-dihydroquinolin-4-imine.
What is the SMILES notation for 1-methyl-4a,8a-dihydroquinolin-4-imine?
The canonical SMILES for 1-methyl-4a,8a-dihydroquinolin-4-imine is [H]/N=C1\C=CN(C)C2C=CC=CC12.
What is the InChIKey of 1-methyl-4a,8a-dihydroquinolin-4-imine?
The InChIKey is QNUGEPYEUIWLLJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-8,10-11H,1H3/b11-9+.
What are the key properties of 1-methyl-4a,8a-dihydroquinolin-4-imine?
1-methyl-4a,8a-dihydroquinolin-4-imine has a molecular weight of 160.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4a,8a-dihydroquinolin-4-imine is sourced from PubChem (CID 163905803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).