ethane;2,2,5,5-tetramethylhexanamide

C12H27NO — CID 178049677

IUPACethane;2,2,5,5-tetramethylhexanamide
SMILESCC.CC(C)(C)CCC(C)(C)C(N)=O
InChIInChI=1S/C10H21NO.C2H6/c1-9(2,3)6-7-10(4,5)8(11)12;1-2/h6-7H2,1-5H3,(H2,11,12);1-2H3
InChIKeyTZSAVIOYKIHSHU-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.35
Rot. Bonds3

About ethane;2,2,5,5-tetramethylhexanamide

ethane;2,2,5,5-tetramethylhexanamide (PubChem CID 178049677) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;2,2,5,5-tetramethylhexanamide.

Molecular Properties

Compound Nameethane;2,2,5,5-tetramethylhexanamide
PubChem CID178049677
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;2,2,5,5-tetramethylhexanamide
SMILESCC.CC(C)(C)CCC(C)(C)C(N)=O
InChIInChI=1S/C10H21NO.C2H6/c1-9(2,3)6-7-10(4,5)8(11)12;1-2/h6-7H2,1-5H3,(H2,11,12);1-2H3
InChIKeyTZSAVIOYKIHSHU-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2,2-dimethylbutanamide
CID 23366310
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
4,4-dimethylpentanamide;hydrochloride
CID 141202343
2-oxoethyl 2,2,5,5-tetramethylhexanoate
CID 178052308
(E)-6-iodo-2,2-dimethylhex-5-enamide
CID 102385891
2,2-dimethyl-3-methylsulfanylpropanamide
CID 89453216
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2,2-dimethyloct-5-enamide
CID 174985624

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,5,5-tetramethylhexanamide?
The IUPAC name of ethane;2,2,5,5-tetramethylhexanamide (CID 178049677) is ethane;2,2,5,5-tetramethylhexanamide.
What is the SMILES notation for ethane;2,2,5,5-tetramethylhexanamide?
The canonical SMILES for ethane;2,2,5,5-tetramethylhexanamide is CC.CC(C)(C)CCC(C)(C)C(N)=O.
What is the InChIKey of ethane;2,2,5,5-tetramethylhexanamide?
The InChIKey is TZSAVIOYKIHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-9(2,3)6-7-10(4,5)8(11)12;1-2/h6-7H2,1-5H3,(H2,11,12);1-2H3.
What are the key properties of ethane;2,2,5,5-tetramethylhexanamide?
ethane;2,2,5,5-tetramethylhexanamide has a molecular weight of 201.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,5,5-tetramethylhexanamide is sourced from PubChem (CID 178049677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).