3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane

C22H30N4 — CID 145079364

IUPAC3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane
SMILESCC.NC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C20H24N4.C2H6/c21-16-10-12-20(13-11-16)19(22-14-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20;1-2/h1-9,16,24H,10-14,21H2,(H,22,23);1-2H3
InChIKeyMJQFOOGHRINKKA-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.79
Rot. Bonds2

About 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane

3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane (PubChem CID 145079364) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane.

Molecular Properties

Compound Name3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane
PubChem CID145079364
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane
SMILESCC.NC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1ccccc1
InChIInChI=1S/C20H24N4.C2H6/c21-16-10-12-20(13-11-16)19(22-14-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20;1-2/h1-9,16,24H,10-14,21H2,(H,22,23);1-2H3
InChIKeyMJQFOOGHRINKKA-UHFFFAOYSA-N
XLogP4.79
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane?
The IUPAC name of 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane (CID 145079364) is 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane.
What is the SMILES notation for 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane?
The canonical SMILES for 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane is CC.NC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1ccccc1.
What is the InChIKey of 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane?
The InChIKey is MJQFOOGHRINKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.C2H6/c21-16-10-12-20(13-11-16)19(22-14-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20;1-2/h1-9,16,24H,10-14,21H2,(H,22,23);1-2H3.
What are the key properties of 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane?
3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane has a molecular weight of 350.51 g/mol, XLogP of 4.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane is sourced from PubChem (CID 145079364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).