8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one

C20H34N4O — CID 137147848

IUPAC8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC1CC2(CCN1C1CCCCC1)NC(=O)N/C2=N\C1CCCCC1
InChIInChI=1S/C20H34N4O/c1-15-14-20(12-13-24(15)17-10-6-3-7-11-17)18(22-19(25)23-20)21-16-8-4-2-5-9-16/h15-17H,2-14H2,1H3,(H2,21,22,23,25)
InChIKeyRYJIWEMBQBCMQI-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.59
Rot. Bonds2

About 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one

8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 137147848) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID137147848
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC1CC2(CCN1C1CCCCC1)NC(=O)N/C2=N\C1CCCCC1
InChIInChI=1S/C20H34N4O/c1-15-14-20(12-13-24(15)17-10-6-3-7-11-17)18(22-19(25)23-20)21-16-8-4-2-5-9-16/h15-17H,2-14H2,1H3,(H2,21,22,23,25)
InChIKeyRYJIWEMBQBCMQI-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.59
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

(5R,7S)-8-benzyl-1-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 135416312
(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one
CID 134920312
(5S)-3-cyclopentyl-5-methylimidazolidine-2,4-dione
CID 131182792
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 135409198
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864
1-cyclohexyl-2-methylpiperazine;dihydrochloride
CID 53399295
2-[(5R,7S)-4-cyclohexylimino-1-(3-fluorophenyl)-7-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl-dimethylsulfanium
CID 154553167
(4E)-3-cyclohexyl-4-(3-cyclohexyl-2-cyclohexylimino-5-oxo-1,3-thiazolidin-4-ylidene)-2-cyclohexylimino-1,3-thiazolidin-5-one
CID 3003990
1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 137147848) is 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one is CC1CC2(CCN1C1CCCCC1)NC(=O)N/C2=N\C1CCCCC1.
What is the InChIKey of 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is RYJIWEMBQBCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15-14-20(12-13-24(15)17-10-6-3-7-11-17)18(22-19(25)23-20)21-16-8-4-2-5-9-16/h15-17H,2-14H2,1H3,(H2,21,22,23,25).
What are the key properties of 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 346.52 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 137147848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).