8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one

C20H28N4O — CID 135875881

IUPAC8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C20H28N4O/c25-19-22-18(21-17-9-5-2-6-10-17)20(23-19)11-13-24(14-12-20)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,25)
InChIKeyAGSFDUNAXNWTSJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.07
Rot. Bonds3

About 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one

8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 135875881) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID135875881
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C20H28N4O/c25-19-22-18(21-17-9-5-2-6-10-17)20(23-19)11-13-24(14-12-20)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,25)
InChIKeyAGSFDUNAXNWTSJ-UHFFFAOYSA-N
XLogP3.07
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.07
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

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
3-(1-Benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 11718536
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
8-Benzyl-4-(cyclohexylamino)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135492826
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125257
3-(1-Benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazolidine-2,4-dione
CID 16125437
3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125443
3-(1-Phenylethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125505
1,8-Dibenzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875883
8-Benzyl-4-(cyclohexylamino)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875882
1-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
CID 14208332

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one (CID 135875881) is 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one is O=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is AGSFDUNAXNWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c25-19-22-18(21-17-9-5-2-6-10-17)20(23-19)11-13-24(14-12-20)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,25).
What are the key properties of 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one?
8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-cyclohexylimino-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135875881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).