N'-(3-methyl-2-oxobutyl)ethanimidamide

C7H14N2O — CID 88993233

IUPACN'-(3-methyl-2-oxobutyl)ethanimidamide
SMILESC/C(N)=N\CC(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)7(10)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyFLUZNOJJUZGRCV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.59
Rot. Bonds3

About N'-(3-methyl-2-oxobutyl)ethanimidamide

N'-(3-methyl-2-oxobutyl)ethanimidamide (PubChem CID 88993233) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N'-(3-methyl-2-oxobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-methyl-2-oxobutyl)ethanimidamide
PubChem CID88993233
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN'-(3-methyl-2-oxobutyl)ethanimidamide
SMILESC/C(N)=N\CC(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)7(10)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyFLUZNOJJUZGRCV-UHFFFAOYSA-N
XLogP0.59
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-oxobutyl)ethanimidamide?
The IUPAC name of N'-(3-methyl-2-oxobutyl)ethanimidamide (CID 88993233) is N'-(3-methyl-2-oxobutyl)ethanimidamide.
What is the SMILES notation for N'-(3-methyl-2-oxobutyl)ethanimidamide?
The canonical SMILES for N'-(3-methyl-2-oxobutyl)ethanimidamide is C/C(N)=N\CC(=O)C(C)C.
What is the InChIKey of N'-(3-methyl-2-oxobutyl)ethanimidamide?
The InChIKey is FLUZNOJJUZGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)7(10)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9).
What are the key properties of N'-(3-methyl-2-oxobutyl)ethanimidamide?
N'-(3-methyl-2-oxobutyl)ethanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-oxobutyl)ethanimidamide is sourced from PubChem (CID 88993233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).