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

C21H25N3 — CID 137104770

IUPACN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESCc1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C21H25N3/c1-16-9-3-4-10-17(16)15-22-20-21(13-7-2-8-14-21)24-19-12-6-5-11-18(19)23-20/h3-6,9-12,24H,2,7-8,13-15H2,1H3,(H,22,23)
InChIKeyQSQZARYGXZDPEF-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.13
Rot. Bonds2

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

N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 137104770) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID137104770
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESCc1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C21H25N3/c1-16-9-3-4-10-17(16)15-22-20-21(13-7-2-8-14-21)24-19-12-6-5-11-18(19)23-20/h3-6,9-12,24H,2,7-8,13-15H2,1H3,(H,22,23)
InChIKeyQSQZARYGXZDPEF-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-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 137104770) is N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is Cc1ccccc1C/N=C1\Nc2ccccc2NC12CCCCC2.
What is the InChIKey of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is QSQZARYGXZDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16-9-3-4-10-17(16)15-22-20-21(13-7-2-8-14-21)24-19-12-6-5-11-18(19)23-20/h3-6,9-12,24H,2,7-8,13-15H2,1H3,(H,22,23).
What are the key properties of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-[(2-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-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 137104770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).