1,2,5,7-tetramethylazepan-4-one

C10H19NO — CID 20672115

IUPAC1,2,5,7-tetramethylazepan-4-one
SMILESCC1CC(C)N(C)C(C)CC1=O
InChIInChI=1S/C10H19NO/c1-7-5-8(2)11(4)9(3)6-10(7)12/h7-9H,5-6H2,1-4H3
InChIKeyURMBTXQORAFMNW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds

About 1,2,5,7-tetramethylazepan-4-one

1,2,5,7-tetramethylazepan-4-one (PubChem CID 20672115) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2,5,7-tetramethylazepan-4-one.

Molecular Properties

Compound Name1,2,5,7-tetramethylazepan-4-one
PubChem CID20672115
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,2,5,7-tetramethylazepan-4-one
SMILESCC1CC(C)N(C)C(C)CC1=O
InChIInChI=1S/C10H19NO/c1-7-5-8(2)11(4)9(3)6-10(7)12/h7-9H,5-6H2,1-4H3
InChIKeyURMBTXQORAFMNW-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,5,7-tetramethylazepan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5,7-tetramethylazepan-4-one?
The IUPAC name of 1,2,5,7-tetramethylazepan-4-one (CID 20672115) is 1,2,5,7-tetramethylazepan-4-one.
What is the SMILES notation for 1,2,5,7-tetramethylazepan-4-one?
The canonical SMILES for 1,2,5,7-tetramethylazepan-4-one is CC1CC(C)N(C)C(C)CC1=O.
What is the InChIKey of 1,2,5,7-tetramethylazepan-4-one?
The InChIKey is URMBTXQORAFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-5-8(2)11(4)9(3)6-10(7)12/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,2,5,7-tetramethylazepan-4-one?
1,2,5,7-tetramethylazepan-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,7-tetramethylazepan-4-one is sourced from PubChem (CID 20672115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).