2,3,3,4-tetramethylhexanamide

C10H21NO — CID 90191700

IUPAC2,3,3,4-tetramethylhexanamide
SMILESCCC(C)C(C)(C)C(C)C(N)=O
InChIInChI=1S/C10H21NO/c1-6-7(2)10(4,5)8(3)9(11)12/h7-8H,6H2,1-5H3,(H2,11,12)
InChIKeyDYHDGENELINVII-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.18
Rot. Bonds4

About 2,3,3,4-tetramethylhexanamide

2,3,3,4-tetramethylhexanamide (PubChem CID 90191700) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,3,3,4-tetramethylhexanamide.

Molecular Properties

Compound Name2,3,3,4-tetramethylhexanamide
PubChem CID90191700
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,3,3,4-tetramethylhexanamide
SMILESCCC(C)C(C)(C)C(C)C(N)=O
InChIInChI=1S/C10H21NO/c1-6-7(2)10(4,5)8(3)9(11)12/h7-8H,6H2,1-5H3,(H2,11,12)
InChIKeyDYHDGENELINVII-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethylhexanamide?
The IUPAC name of 2,3,3,4-tetramethylhexanamide (CID 90191700) is 2,3,3,4-tetramethylhexanamide.
What is the SMILES notation for 2,3,3,4-tetramethylhexanamide?
The canonical SMILES for 2,3,3,4-tetramethylhexanamide is CCC(C)C(C)(C)C(C)C(N)=O.
What is the InChIKey of 2,3,3,4-tetramethylhexanamide?
The InChIKey is DYHDGENELINVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7(2)10(4,5)8(3)9(11)12/h7-8H,6H2,1-5H3,(H2,11,12).
What are the key properties of 2,3,3,4-tetramethylhexanamide?
2,3,3,4-tetramethylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethylhexanamide is sourced from PubChem (CID 90191700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).