2,2,4-trimethylhexanamide

C9H19NO — CID 173326530

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

About 2,2,4-trimethylhexanamide

2,2,4-trimethylhexanamide (PubChem CID 173326530) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,4-trimethylhexanamide.

Molecular Properties

Compound Name2,2,4-trimethylhexanamide
PubChem CID173326530
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,4-trimethylhexanamide
SMILESCCC(C)CC(C)(C)C(N)=O
InChIInChI=1S/C9H19NO/c1-5-7(2)6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyFOPNVFDKAFAXCS-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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Related Compounds

2,2,4-trimethylhexanoic acid
CID 15564208
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
3-ethyl-4,4,6-trimethyloct-2-ene
CID 123752738
azane;2,2,4-trimethylhexane
CID 87634842
methane;2,2,4-trimethylhexane
CID 159659116
bis(2-methylbutyl) 3,3-dimethylpentanedioate
CID 90282141
3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
CID 62398612
ethyl 5-amino-2,2,4-trimethylpentanoate
CID 123521553
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2,2,4-trimethylhexan-1-ol
CID 14747424
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
CID 113319108

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylhexanamide?
The IUPAC name of 2,2,4-trimethylhexanamide (CID 173326530) is 2,2,4-trimethylhexanamide.
What is the SMILES notation for 2,2,4-trimethylhexanamide?
The canonical SMILES for 2,2,4-trimethylhexanamide is CCC(C)CC(C)(C)C(N)=O.
What is the InChIKey of 2,2,4-trimethylhexanamide?
The InChIKey is FOPNVFDKAFAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(2)6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2,2,4-trimethylhexanamide?
2,2,4-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 2,2,4-trimethylhexanamide is sourced from PubChem (CID 173326530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).