N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine

C18H24N4O — CID 157193126

IUPACN-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine
SMILESCN1CCC2(CC1)Cc1cn(C)cc1N/C2=N\Cc1ccco1
InChIInChI=1S/C18H24N4O/c1-21-7-5-18(6-8-21)10-14-12-22(2)13-16(14)20-17(18)19-11-15-4-3-9-23-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyAPXVNKMJVJSFOB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.90
Rot. Bonds2

About N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine

N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine (PubChem CID 157193126) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine
PubChem CID157193126
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine
SMILESCN1CCC2(CC1)Cc1cn(C)cc1N/C2=N\Cc1ccco1
InChIInChI=1S/C18H24N4O/c1-21-7-5-18(6-8-21)10-14-12-22(2)13-16(14)20-17(18)19-11-15-4-3-9-23-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyAPXVNKMJVJSFOB-UHFFFAOYSA-N
XLogP2.90
TPSA45.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1',2-dimethylspiro[4,7-dihydropyrazolo[3,4-b]pyrazine-5,4'-piperidine]-6-imine
CID 137104809
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 157408737
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
CID 153104719
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
CID 21317040
2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026535
1'-(furan-2-ylmethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 97375673
N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
CID 153182010
N-benzyl-6,7-dichlorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 158802583
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
CID 135983993
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine?
The IUPAC name of N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine (CID 157193126) is N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine is CN1CCC2(CC1)Cc1cn(C)cc1N/C2=N\Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine?
The InChIKey is APXVNKMJVJSFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-7-5-18(6-8-21)10-14-12-22(2)13-16(14)20-17(18)19-11-15-4-3-9-23-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine?
N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine has a molecular weight of 312.42 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1',6-dimethylspiro[1,4-dihydropyrrolo[3,4-b]pyridine-3,4'-piperidine]-2-imine is sourced from PubChem (CID 157193126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).