6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C16H20N2O2 — CID 64834785

IUPAC6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(C)c1ccc(N2C(=O)C3C(C2=O)C3(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-9(17-4)10-5-7-11(8-6-10)18-14(19)12-13(15(18)20)16(12,2)3/h5-9,12-13,17H,1-4H3
InChIKeyUIUYKKGZRCIQLG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds3

About 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64834785) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64834785
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(C)c1ccc(N2C(=O)C3C(C2=O)C3(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-9(17-4)10-5-7-11(8-6-10)18-14(19)12-13(15(18)20)16(12,2)3/h5-9,12-13,17H,1-4H3
InChIKeyUIUYKKGZRCIQLG-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 38050
CID 38050
CID 3254185
CID 3254185
CID 6463056
CID 6463056
CID 6464187
CID 6464187
CID 648286
CID 648286
CID 125921
CID 125921
CID 14068934
CID 14068934
CID 14068936
CID 14068936
CID 14068937
CID 14068937
CID 14068938
CID 14068938
CID 14068940
CID 14068940
CID 14068941
CID 14068941

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64834785) is 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is CNC(C)c1ccc(N2C(=O)C3C(C2=O)C3(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is UIUYKKGZRCIQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9(17-4)10-5-7-11(8-6-10)18-14(19)12-13(15(18)20)16(12,2)3/h5-9,12-13,17H,1-4H3.
What are the key properties of 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[4-[1-(methylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64834785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).