N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

C20H23N3 — CID 135929514

IUPACN-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C20H23N3/c1-3-9-16(10-4-1)15-21-19-20(13-7-2-8-14-20)23-18-12-6-5-11-17(18)22-19/h1,3-6,9-12,23H,2,7-8,13-15H2,(H,21,22)
InChIKeySZHNOJOSPJCPGT-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.83
Rot. Bonds2

About N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 135929514) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID135929514
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1
InChIInChI=1S/C20H23N3/c1-3-9-16(10-4-1)15-21-19-20(13-7-2-8-14-20)23-18-12-6-5-11-17(18)22-19/h1,3-6,9-12,23H,2,7-8,13-15H2,(H,21,22)
InChIKeySZHNOJOSPJCPGT-UHFFFAOYSA-N
XLogP4.83
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.83
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-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 135929514) is N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is c1ccc(C/N=C2\Nc3ccccc3NC23CCCCC3)cc1.
What is the InChIKey of N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is SZHNOJOSPJCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-9-16(10-4-1)15-21-19-20(13-7-2-8-14-20)23-18-12-6-5-11-17(18)22-19/h1,3-6,9-12,23H,2,7-8,13-15H2,(H,21,22).
What are the key properties of N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine has a molecular weight of 305.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 135929514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).