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

C21H25N3 — CID 137091697

IUPACN-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc(CC/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C21H25N3/c1-3-9-17(10-4-1)13-16-22-20-21(14-7-2-8-15-21)24-19-12-6-5-11-18(19)23-20/h1,3-6,9-12,24H,2,7-8,13-16H2,(H,22,23)
InChIKeyBQFNTZAXTPNMAG-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.87
Rot. Bonds3

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

N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 137091697) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID137091697
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc(CC/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C21H25N3/c1-3-9-17(10-4-1)13-16-22-20-21(14-7-2-8-15-21)24-19-12-6-5-11-18(19)23-20/h1,3-6,9-12,24H,2,7-8,13-16H2,(H,22,23)
InChIKeyBQFNTZAXTPNMAG-UHFFFAOYSA-N
XLogP4.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
CID 16103
Liproxstatin-1
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(+)-(6S)-3,4,5,6-Tetrahydro-2-phenyl-6-((4-phenyl-1-piperazinyl)methyl)pyrimidine
CID 10359539
2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 13869763
(R)-2-Phenyl-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine
CID 44381216
2-[[4-Anilino-1-(2-phenylethyl)piperidin-4-yl]methyl]guanidine
CID 118724543
2-phenyl-4-(4-phenylpiperazin-1-yl)-3H-1,5-benzodiazepine
CID 12440719
N-benzyl-3,4-dihydroquinolin-2-amine
CID 135401669
N-(2-Methylbenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine
CID 135735914
N-(2-Chlorobenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine
CID 135735915
N-(4-Methylbenzyl)-1'H-spiro[cyclohexane-1,2'-quinoxalin]-3'-amine
CID 135891234
N-[(2-chlorophenyl)methyl]-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 136161398

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 137091697) is N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is c1ccc(CC/N=C2\Nc3ccccc3NC23CCCCC3)cc1.
What is the InChIKey of N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is BQFNTZAXTPNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-3-9-17(10-4-1)13-16-22-20-21(14-7-2-8-15-21)24-19-12-6-5-11-18(19)23-20/h1,3-6,9-12,24H,2,7-8,13-16H2,(H,22,23).
What are the key properties of N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine has a molecular weight of 319.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 137091697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).