4,4,6,6-tetramethylazepan-2-one

C10H19NO — CID 12689792

IUPAC4,4,6,6-tetramethylazepan-2-one
SMILESCC1(C)CNC(=O)CC(C)(C)C1
InChIInChI=1S/C10H19NO/c1-9(2)5-8(12)11-7-10(3,4)6-9/h5-7H2,1-4H3,(H,11,12)
InChIKeyKXBTYHZXWFDVKV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds

About 4,4,6,6-tetramethylazepan-2-one

4,4,6,6-tetramethylazepan-2-one (PubChem CID 12689792) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4,4,6,6-tetramethylazepan-2-one.

Molecular Properties

Compound Name4,4,6,6-tetramethylazepan-2-one
PubChem CID12689792
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4,4,6,6-tetramethylazepan-2-one
SMILESCC1(C)CNC(=O)CC(C)(C)C1
InChIInChI=1S/C10H19NO/c1-9(2)5-8(12)11-7-10(3,4)6-9/h5-7H2,1-4H3,(H,11,12)
InChIKeyKXBTYHZXWFDVKV-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethylazepan-2-one?
The IUPAC name of 4,4,6,6-tetramethylazepan-2-one (CID 12689792) is 4,4,6,6-tetramethylazepan-2-one.
What is the SMILES notation for 4,4,6,6-tetramethylazepan-2-one?
The canonical SMILES for 4,4,6,6-tetramethylazepan-2-one is CC1(C)CNC(=O)CC(C)(C)C1.
What is the InChIKey of 4,4,6,6-tetramethylazepan-2-one?
The InChIKey is KXBTYHZXWFDVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-8(12)11-7-10(3,4)6-9/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 4,4,6,6-tetramethylazepan-2-one?
4,4,6,6-tetramethylazepan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethylazepan-2-one is sourced from PubChem (CID 12689792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).