2,2,5-trimethylhexanamide

C9H19NO — CID 59495838

IUPAC2,2,5-trimethylhexanamide
SMILESCC(C)CCC(C)(C)C(N)=O
InChIInChI=1S/C9H19NO/c1-7(2)5-6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyQFBPZYWUYPDKCS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds4

About 2,2,5-trimethylhexanamide

2,2,5-trimethylhexanamide (PubChem CID 59495838) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,5-trimethylhexanamide.

Molecular Properties

Compound Name2,2,5-trimethylhexanamide
PubChem CID59495838
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,5-trimethylhexanamide
SMILESCC(C)CCC(C)(C)C(N)=O
InChIInChI=1S/C9H19NO/c1-7(2)5-6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyQFBPZYWUYPDKCS-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylhexanamide?
The IUPAC name of 2,2,5-trimethylhexanamide (CID 59495838) is 2,2,5-trimethylhexanamide.
What is the SMILES notation for 2,2,5-trimethylhexanamide?
The canonical SMILES for 2,2,5-trimethylhexanamide is CC(C)CCC(C)(C)C(N)=O.
What is the InChIKey of 2,2,5-trimethylhexanamide?
The InChIKey is QFBPZYWUYPDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2,2,5-trimethylhexanamide?
2,2,5-trimethylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhexanamide is sourced from PubChem (CID 59495838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).