2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide

C11H22N2O — CID 58313310

IUPAC2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide
SMILESC/C(=N\CC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)6-13-11(14)7-12-10(5)9(3)4/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-10+
InChIKeyMUUUROXEIWZTLW-ZRDIBKRKSA-N
MW198.31 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide

2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide (PubChem CID 58313310) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide
PubChem CID58313310
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide
SMILESC/C(=N\CC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)6-13-11(14)7-12-10(5)9(3)4/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-10+
InChIKeyMUUUROXEIWZTLW-ZRDIBKRKSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide (CID 58313310) is 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide is C/C(=N\CC(=O)NCC(C)C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide?
The InChIKey is MUUUROXEIWZTLW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)6-13-11(14)7-12-10(5)9(3)4/h8-9H,6-7H2,1-5H3,(H,13,14)/b12-10+.
What are the key properties of 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide?
2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylideneamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 58313310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).