3,3,5,5-tetramethyl-2-methylidenehexanamide

C11H21NO — CID 19097995

IUPAC3,3,5,5-tetramethyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(9(12)13)11(5,6)7-10(2,3)4/h1,7H2,2-6H3,(H2,12,13)
InChIKeyXKWFZGCWEYYGSK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.49
Rot. Bonds3

About 3,3,5,5-tetramethyl-2-methylidenehexanamide

3,3,5,5-tetramethyl-2-methylidenehexanamide (PubChem CID 19097995) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-2-methylidenehexanamide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-2-methylidenehexanamide
PubChem CID19097995
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,3,5,5-tetramethyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(9(12)13)11(5,6)7-10(2,3)4/h1,7H2,2-6H3,(H2,12,13)
InChIKeyXKWFZGCWEYYGSK-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-2-methylidenehexanamide?
The IUPAC name of 3,3,5,5-tetramethyl-2-methylidenehexanamide (CID 19097995) is 3,3,5,5-tetramethyl-2-methylidenehexanamide.
What is the SMILES notation for 3,3,5,5-tetramethyl-2-methylidenehexanamide?
The canonical SMILES for 3,3,5,5-tetramethyl-2-methylidenehexanamide is C=C(C(N)=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-2-methylidenehexanamide?
The InChIKey is XKWFZGCWEYYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(9(12)13)11(5,6)7-10(2,3)4/h1,7H2,2-6H3,(H2,12,13).
What are the key properties of 3,3,5,5-tetramethyl-2-methylidenehexanamide?
3,3,5,5-tetramethyl-2-methylidenehexanamide has a molecular weight of 183.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-2-methylidenehexanamide is sourced from PubChem (CID 19097995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).