3,5,5-trimethylhexanamide

C9H19NO — CID 16750600

IUPAC3,5,5-trimethylhexanamide
SMILESCC(CC(N)=O)CC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeySBSCDYTYNSHRIX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds3

About 3,5,5-trimethylhexanamide

3,5,5-trimethylhexanamide (PubChem CID 16750600) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,5,5-trimethylhexanamide.

Molecular Properties

Compound Name3,5,5-trimethylhexanamide
PubChem CID16750600
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3,5,5-trimethylhexanamide
SMILESCC(CC(N)=O)CC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeySBSCDYTYNSHRIX-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5,5-trimethylhexanamide 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 3,5,5-trimethylhexanamide?
The IUPAC name of 3,5,5-trimethylhexanamide (CID 16750600) is 3,5,5-trimethylhexanamide.
What is the SMILES notation for 3,5,5-trimethylhexanamide?
The canonical SMILES for 3,5,5-trimethylhexanamide is CC(CC(N)=O)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethylhexanamide?
The InChIKey is SBSCDYTYNSHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 3,5,5-trimethylhexanamide?
3,5,5-trimethylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylhexanamide is sourced from PubChem (CID 16750600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).