2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione

C15H25NO3 — CID 59996056

IUPAC2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione
SMILESCC(C)C(C)NC1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C15H25NO3/c1-8(2)9(3)16-10-11(17)14(4,5)13(19)15(6,7)12(10)18/h8-10,16H,1-7H3
InChIKeyJBFAKTKUPHIUAP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds3

About 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione

2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione (PubChem CID 59996056) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione
PubChem CID59996056
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione
SMILESCC(C)C(C)NC1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C15H25NO3/c1-8(2)9(3)16-10-11(17)14(4,5)13(19)15(6,7)12(10)18/h8-10,16H,1-7H3
InChIKeyJBFAKTKUPHIUAP-UHFFFAOYSA-N
XLogP1.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione?
The IUPAC name of 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione (CID 59996056) is 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione?
The canonical SMILES for 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione is CC(C)C(C)NC1C(=O)C(C)(C)C(=O)C(C)(C)C1=O.
What is the InChIKey of 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione?
The InChIKey is JBFAKTKUPHIUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8(2)9(3)16-10-11(17)14(4,5)13(19)15(6,7)12(10)18/h8-10,16H,1-7H3.
What are the key properties of 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione?
2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione has a molecular weight of 267.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione is sourced from PubChem (CID 59996056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).