N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide

C15H24N2O2 — CID 968956

IUPACN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,17,19)
InChIKeyQJQAAGHHLXZUIM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds2

About N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide (PubChem CID 968956) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide
PubChem CID968956
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,17,19)
InChIKeyQJQAAGHHLXZUIM-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide?
The IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide (CID 968956) is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide?
The canonical SMILES for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide is CC1(C)CC(=O)CC(=NNC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide?
The InChIKey is QJQAAGHHLXZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide?
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide is sourced from PubChem (CID 968956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).