4-ethyl-5,5-dimethylhexanamide

C10H21NO — CID 548017

IUPAC4-ethyl-5,5-dimethylhexanamide
SMILESCCC(CCC(N)=O)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-8(10(2,3)4)6-7-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyXAYGIXBCXRJQGF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds4

About 4-ethyl-5,5-dimethylhexanamide

4-ethyl-5,5-dimethylhexanamide (PubChem CID 548017) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-ethyl-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-ethyl-5,5-dimethylhexanamide
PubChem CID548017
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-ethyl-5,5-dimethylhexanamide
SMILESCCC(CCC(N)=O)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-8(10(2,3)4)6-7-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyXAYGIXBCXRJQGF-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,5-dimethylhexanamide?
The IUPAC name of 4-ethyl-5,5-dimethylhexanamide (CID 548017) is 4-ethyl-5,5-dimethylhexanamide.
What is the SMILES notation for 4-ethyl-5,5-dimethylhexanamide?
The canonical SMILES for 4-ethyl-5,5-dimethylhexanamide is CCC(CCC(N)=O)C(C)(C)C.
What is the InChIKey of 4-ethyl-5,5-dimethylhexanamide?
The InChIKey is XAYGIXBCXRJQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-8(10(2,3)4)6-7-9(11)12/h8H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 4-ethyl-5,5-dimethylhexanamide?
4-ethyl-5,5-dimethylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,5-dimethylhexanamide is sourced from PubChem (CID 548017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).