N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide

C11H22N2O — CID 134565089

IUPACN-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N/N=C/C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)10(14)13-12-7-11(4,5)6/h7-9H,1-6H3,(H,13,14)/b12-7+
InChIKeyZKXVOIWEXPBVKE-KPKJPENVSA-N
MW198.31 g/mol
LogP2.43
Rot. Bonds3

About N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide

N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide (PubChem CID 134565089) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide
PubChem CID134565089
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)N/N=C/C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)10(14)13-12-7-11(4,5)6/h7-9H,1-6H3,(H,13,14)/b12-7+
InChIKeyZKXVOIWEXPBVKE-KPKJPENVSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide 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 N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide?
The IUPAC name of N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide (CID 134565089) is N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)N/N=C/C(C)(C)C.
What is the InChIKey of N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide?
The InChIKey is ZKXVOIWEXPBVKE-KPKJPENVSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(3)10(14)13-12-7-11(4,5)6/h7-9H,1-6H3,(H,13,14)/b12-7+.
What are the key properties of N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide?
N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2-dimethylpropylideneamino]-2,3-dimethylbutanamide is sourced from PubChem (CID 134565089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).