N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine

C22H29N5 — CID 145079424

IUPACN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine
SMILESCc1cccc(C/N=C2\Nc3c(cccc3N(C)C)NC23CCNCC3)c1
InChIInChI=1S/C22H29N5/c1-16-6-4-7-17(14-16)15-24-21-22(10-12-23-13-11-22)26-18-8-5-9-19(27(2)3)20(18)25-21/h4-9,14,23,26H,10-13,15H2,1-3H3,(H,24,25)
InChIKeyOBNSGCGXUAVAPK-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.62
Rot. Bonds3

About N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine

N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine (PubChem CID 145079424) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine
PubChem CID145079424
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC NameN,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine
SMILESCc1cccc(C/N=C2\Nc3c(cccc3N(C)C)NC23CCNCC3)c1
InChIInChI=1S/C22H29N5/c1-16-6-4-7-17(14-16)15-24-21-22(10-12-23-13-11-22)26-18-8-5-9-19(27(2)3)20(18)25-21/h4-9,14,23,26H,10-13,15H2,1-3H3,(H,24,25)
InChIKeyOBNSGCGXUAVAPK-UHFFFAOYSA-N
XLogP3.62
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide
CID 145079350
8-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 145079359
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-yl]acetamide
CID 145079203
N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105325
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
7-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079242
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137122971
3-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-diamine
CID 137105334
7-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079251
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine?
The IUPAC name of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine (CID 145079424) is N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine?
The canonical SMILES for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine is Cc1cccc(C/N=C2\Nc3c(cccc3N(C)C)NC23CCNCC3)c1.
What is the InChIKey of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine?
The InChIKey is OBNSGCGXUAVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-16-6-4-7-17(14-16)15-24-21-22(10-12-23-13-11-22)26-18-8-5-9-19(27(2)3)20(18)25-21/h4-9,14,23,26H,10-13,15H2,1-3H3,(H,24,25).
What are the key properties of N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine?
N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine has a molecular weight of 363.51 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine is sourced from PubChem (CID 145079424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).