6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H20N2O2 — CID 64835125

IUPAC6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNCC(C)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C12H20N2O2/c1-7(5-13-4)6-14-10(15)8-9(11(14)16)12(8,2)3/h7-9,13H,5-6H2,1-4H3
InChIKeyDXVMHFKBSAYVFZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.48
Rot. Bonds4

About 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64835125) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64835125
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNCC(C)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C12H20N2O2/c1-7(5-13-4)6-14-10(15)8-9(11(14)16)12(8,2)3/h7-9,13H,5-6H2,1-4H3
InChIKeyDXVMHFKBSAYVFZ-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64835125) is 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is CNCC(C)CN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DXVMHFKBSAYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(5-13-4)6-14-10(15)8-9(11(14)16)12(8,2)3/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[2-methyl-3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64835125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).