2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide

C11H23N3O — CID 145461226

IUPAC2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide
SMILESCCC(C)/C(N)=N/C(C)(CNC)C(C)=O
InChIInChI=1S/C11H23N3O/c1-6-8(2)10(12)14-11(4,7-13-5)9(3)15/h8,13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyMBEACOAXZKZIHF-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.96
Rot. Bonds6

About 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide

2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide (PubChem CID 145461226) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide
PubChem CID145461226
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide
SMILESCCC(C)/C(N)=N/C(C)(CNC)C(C)=O
InChIInChI=1S/C11H23N3O/c1-6-8(2)10(12)14-11(4,7-13-5)9(3)15/h8,13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyMBEACOAXZKZIHF-UHFFFAOYSA-N
XLogP0.96
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
2-amino-3-methyl-N'-(3-oxobutan-2-yl)butanimidamide
CID 156255764
N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide
CID 156569185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide?
The IUPAC name of 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide (CID 145461226) is 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide.
What is the SMILES notation for 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide?
The canonical SMILES for 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide is CCC(C)/C(N)=N/C(C)(CNC)C(C)=O.
What is the InChIKey of 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide?
The InChIKey is MBEACOAXZKZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-8(2)10(12)14-11(4,7-13-5)9(3)15/h8,13H,6-7H2,1-5H3,(H2,12,14).
What are the key properties of 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide?
2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide is sourced from PubChem (CID 145461226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).