N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

C21H25N3 — CID 135891234

IUPACN-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESCc1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C21H25N3/c1-16-9-11-17(12-10-16)15-22-20-21(13-5-2-6-14-21)24-19-8-4-3-7-18(19)23-20/h3-4,7-12,24H,2,5-6,13-15H2,1H3,(H,22,23)
InChIKeyLKIDVHKYMZGGQT-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.13
Rot. Bonds2

About N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 135891234) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID135891234
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESCc1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C21H25N3/c1-16-9-11-17(12-10-16)15-22-20-21(13-5-2-6-14-21)24-19-8-4-3-7-18(19)23-20/h3-4,7-12,24H,2,5-6,13-15H2,1H3,(H,22,23)
InChIKeyLKIDVHKYMZGGQT-UHFFFAOYSA-N
XLogP5.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
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-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 135891234) is N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is Cc1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is LKIDVHKYMZGGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16-9-11-17(12-10-16)15-22-20-21(13-5-2-6-14-21)24-19-8-4-3-7-18(19)23-20/h3-4,7-12,24H,2,5-6,13-15H2,1H3,(H,22,23).
What are the key properties of N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine has a molecular weight of 319.45 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 135891234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).