2,2,4,4-tetramethyl-6-oxohexanamide

C10H19NO2 — CID 176713396

IUPAC2,2,4,4-tetramethyl-6-oxohexanamide
SMILESCC(C)(CC=O)CC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO2/c1-9(2,5-6-12)7-10(3,4)8(11)13/h6H,5,7H2,1-4H3,(H2,11,13)
InChIKeyCMSJYLKTHOSXJH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds5

About 2,2,4,4-tetramethyl-6-oxohexanamide

2,2,4,4-tetramethyl-6-oxohexanamide (PubChem CID 176713396) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-oxohexanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-oxohexanamide
PubChem CID176713396
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2,4,4-tetramethyl-6-oxohexanamide
SMILESCC(C)(CC=O)CC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO2/c1-9(2,5-6-12)7-10(3,4)8(11)13/h6H,5,7H2,1-4H3,(H2,11,13)
InChIKeyCMSJYLKTHOSXJH-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[amino(methyl)amino]-2,2,4,4-tetramethylpentanamide
CID 155400358
(Z)-2,2,4,4,7,7,8,8-octamethylnon-5-enamide
CID 144603472
2,2,4,4-tetramethyloctanamide
CID 89265851
CID 91566338
CID 91566338
4-amino-3,3-dimethylbutanal
CID 18683027
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505
N'-[(E)-2,2-dimethylhex-4-enyl]-2,2,4,4-tetramethylpentanediamide
CID 143714330
4-amino-2,2-dimethylbutanamide
CID 23366310
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
3,3,15,15-tetramethyl-7,11-dioxoheptadecanedial
CID 23431384
2,2,3,3-tetramethylhexanediamide
CID 19832795
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6-oxohexanamide?
The IUPAC name of 2,2,4,4-tetramethyl-6-oxohexanamide (CID 176713396) is 2,2,4,4-tetramethyl-6-oxohexanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-oxohexanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-6-oxohexanamide is CC(C)(CC=O)CC(C)(C)C(N)=O.
What is the InChIKey of 2,2,4,4-tetramethyl-6-oxohexanamide?
The InChIKey is CMSJYLKTHOSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,5-6-12)7-10(3,4)8(11)13/h6H,5,7H2,1-4H3,(H2,11,13).
What are the key properties of 2,2,4,4-tetramethyl-6-oxohexanamide?
2,2,4,4-tetramethyl-6-oxohexanamide has a molecular weight of 185.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-oxohexanamide is sourced from PubChem (CID 176713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).