1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine

C23H29ClN4 — CID 137105381

IUPAC1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN4/c1-28(2)16-17-10-12-23(13-11-17)22(25-15-18-6-5-7-19(24)14-18)26-20-8-3-4-9-21(20)27-23/h3-9,14,17,27H,10-13,15-16H2,1-2H3,(H,25,26)
InChIKeyJVFYYGOMKSUUPH-UHFFFAOYSA-N
MW396.97 g/mol
LogP5.27
Rot. Bonds4

About 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine

1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine (PubChem CID 137105381) has the molecular formula C23H29ClN4 and a molecular weight of 396.97 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine
PubChem CID137105381
Molecular FormulaC23H29ClN4
Molecular Weight396.97 g/mol
Exact Mass396.21
IUPAC Name1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN4/c1-28(2)16-17-10-12-23(13-11-17)22(25-15-18-6-5-7-19(24)14-18)26-20-8-3-4-9-21(20)27-23/h3-9,14,17,27H,10-13,15-16H2,1-2H3,(H,25,26)
InChIKeyJVFYYGOMKSUUPH-UHFFFAOYSA-N
XLogP5.27
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.97
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]oxy-N,N-dimethylethanamine
CID 137060983
2-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]oxyethanamine
CID 137105509
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane
CID 145079364
CID 137099323
CID 137099323
3-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-diamine
CID 137105334
N-[(3-chlorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105099
6,7-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137032040
2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
CID 137104712
N-[(3-chlorophenyl)methyl]-4'-ethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 147701031
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105166
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105136

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine (CID 137105381) is 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine is CN(C)CC1CCC2(CC1)Nc1ccccc1N/C2=N\Cc1cccc(Cl)c1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine?
The InChIKey is JVFYYGOMKSUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4/c1-28(2)16-17-10-12-23(13-11-17)22(25-15-18-6-5-7-19(24)14-18)26-20-8-3-4-9-21(20)27-23/h3-9,14,17,27H,10-13,15-16H2,1-2H3,(H,25,26).
What are the key properties of 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine?
1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine has a molecular weight of 396.97 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137105381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).