6,6-dimethyl-3-(methylamino)azepan-2-one

C9H18N2O — CID 22985182

IUPAC6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)(C)CNC1=O
InChIInChI=1S/C9H18N2O/c1-9(2)5-4-7(10-3)8(12)11-6-9/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyPCDWGYWONYCTBX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds1

About 6,6-dimethyl-3-(methylamino)azepan-2-one

6,6-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22985182) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6,6-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name6,6-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22985182
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)(C)CNC1=O
InChIInChI=1S/C9H18N2O/c1-9(2)5-4-7(10-3)8(12)11-6-9/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyPCDWGYWONYCTBX-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 6,6-dimethyl-3-(methylamino)azepan-2-one (CID 22985182) is 6,6-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 6,6-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 6,6-dimethyl-3-(methylamino)azepan-2-one is CNC1CCC(C)(C)CNC1=O.
What is the InChIKey of 6,6-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is PCDWGYWONYCTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)5-4-7(10-3)8(12)11-6-9/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 6,6-dimethyl-3-(methylamino)azepan-2-one?
6,6-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).