N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

C25H34N2 — CID 3832411

IUPACN-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H34N2/c1-5-27-23-7-6-18(11-22(23)17(2)12-24(27,3)4)16-26-25-13-19-8-20(14-25)10-21(9-19)15-25/h6-7,11-12,16,19-21H,5,8-10,13-15H2,1-4H3/b26-16+
InChIKeyRRKPJTOBPIJDGC-WGOQTCKBSA-N
MW362.56 g/mol
LogP6.10
Rot. Bonds3

About N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 3832411) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID3832411
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H34N2/c1-5-27-23-7-6-18(11-22(23)17(2)12-24(27,3)4)16-26-25-13-19-8-20(14-25)10-21(9-19)15-25/h6-7,11-12,16,19-21H,5,8-10,13-15H2,1-4H3/b26-16+
InChIKeyRRKPJTOBPIJDGC-WGOQTCKBSA-N
XLogP6.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.10
H-Bond Donors ≤ 50
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 N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (CID 3832411) is N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is RRKPJTOBPIJDGC-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H34N2/c1-5-27-23-7-6-18(11-22(23)17(2)12-24(27,3)4)16-26-25-13-19-8-20(14-25)10-21(9-19)15-25/h6-7,11-12,16,19-21H,5,8-10,13-15H2,1-4H3/b26-16+.
What are the key properties of N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 362.56 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 3832411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).