2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine

C19H28N2 — CID 171819600

IUPAC2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine
SMILES[H]/N=C1\C=C(C)C2=NC(C)(CC)C=C(CCCCCC)C2=C1
InChIInChI=1S/C19H28N2/c1-5-7-8-9-10-15-13-19(4,6-2)21-18-14(3)11-16(20)12-17(15)18/h11-13,20H,5-10H2,1-4H3/b20-16+
InChIKeyXASOCRCNTATTJR-CAPFRKAQSA-N
MW284.45 g/mol
LogP5.41
Rot. Bonds6

About 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine

2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine (PubChem CID 171819600) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine.

Molecular Properties

Compound Name2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine
PubChem CID171819600
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine
SMILES[H]/N=C1\C=C(C)C2=NC(C)(CC)C=C(CCCCCC)C2=C1
InChIInChI=1S/C19H28N2/c1-5-7-8-9-10-15-13-19(4,6-2)21-18-14(3)11-16(20)12-17(15)18/h11-13,20H,5-10H2,1-4H3/b20-16+
InChIKeyXASOCRCNTATTJR-CAPFRKAQSA-N
XLogP5.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine?
The IUPAC name of 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine (CID 171819600) is 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine.
What is the SMILES notation for 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine?
The canonical SMILES for 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine is [H]/N=C1\C=C(C)C2=NC(C)(CC)C=C(CCCCCC)C2=C1.
What is the InChIKey of 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine?
The InChIKey is XASOCRCNTATTJR-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H28N2/c1-5-7-8-9-10-15-13-19(4,6-2)21-18-14(3)11-16(20)12-17(15)18/h11-13,20H,5-10H2,1-4H3/b20-16+.
What are the key properties of 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine?
2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine has a molecular weight of 284.45 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexyl-2,8-dimethylquinolin-6-imine is sourced from PubChem (CID 171819600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).