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

C20H28N4O — CID 135409198

IUPAC4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)/C(=N/C1CCCCC1)NC(=O)N2c1ccccc1
InChIInChI=1S/C20H28N4O/c1-23-14-12-20(13-15-23)18(21-16-8-4-2-5-9-16)22-19(25)24(20)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,21,22,25)
InChIKeyIYPZARMGQRMALR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds2

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

4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 135409198) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID135409198
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)/C(=N/C1CCCCC1)NC(=O)N2c1ccccc1
InChIInChI=1S/C20H28N4O/c1-23-14-12-20(13-15-23)18(21-16-8-4-2-5-9-16)22-19(25)24(20)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,21,22,25)
InChIKeyIYPZARMGQRMALR-UHFFFAOYSA-N
XLogP3.41
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 135409198) is 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one is CN1CCC2(CC1)/C(=N/C1CCCCC1)NC(=O)N2c1ccccc1.
What is the InChIKey of 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is IYPZARMGQRMALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23-14-12-20(13-15-23)18(21-16-8-4-2-5-9-16)22-19(25)24(20)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,21,22,25).
What are the key properties of 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135409198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).