6-tert-butylimino-5,5-dimethylpiperidin-2-one

C11H20N2O — CID 135471157

IUPAC6-tert-butylimino-5,5-dimethylpiperidin-2-one
SMILESCC(C)(C)/N=C1\NC(=O)CCC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2,3)13-9-11(4,5)7-6-8(14)12-9/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyHNSPBOLNFTYYCG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.12
Rot. Bonds

About 6-tert-butylimino-5,5-dimethylpiperidin-2-one

6-tert-butylimino-5,5-dimethylpiperidin-2-one (PubChem CID 135471157) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-tert-butylimino-5,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name6-tert-butylimino-5,5-dimethylpiperidin-2-one
PubChem CID135471157
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name6-tert-butylimino-5,5-dimethylpiperidin-2-one
SMILESCC(C)(C)/N=C1\NC(=O)CCC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2,3)13-9-11(4,5)7-6-8(14)12-9/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyHNSPBOLNFTYYCG-UHFFFAOYSA-N
XLogP2.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-tert-butylimino-5,5-dimethylpiperidin-2-one?
The IUPAC name of 6-tert-butylimino-5,5-dimethylpiperidin-2-one (CID 135471157) is 6-tert-butylimino-5,5-dimethylpiperidin-2-one.
What is the SMILES notation for 6-tert-butylimino-5,5-dimethylpiperidin-2-one?
The canonical SMILES for 6-tert-butylimino-5,5-dimethylpiperidin-2-one is CC(C)(C)/N=C1\NC(=O)CCC1(C)C.
What is the InChIKey of 6-tert-butylimino-5,5-dimethylpiperidin-2-one?
The InChIKey is HNSPBOLNFTYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)13-9-11(4,5)7-6-8(14)12-9/h6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 6-tert-butylimino-5,5-dimethylpiperidin-2-one?
6-tert-butylimino-5,5-dimethylpiperidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylimino-5,5-dimethylpiperidin-2-one is sourced from PubChem (CID 135471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).