N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide

C8H16N2O — CID 58079207

IUPACN'-(3,3-dimethyl-2-oxobutyl)ethanimidamide
SMILESC/C(N)=N\CC(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(9)10-5-7(11)8(2,3)4/h5H2,1-4H3,(H2,9,10)
InChIKeyBRUIYYMNJAWMBC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.98
Rot. Bonds2

About N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide

N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide (PubChem CID 58079207) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3,3-dimethyl-2-oxobutyl)ethanimidamide
PubChem CID58079207
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(3,3-dimethyl-2-oxobutyl)ethanimidamide
SMILESC/C(N)=N\CC(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(9)10-5-7(11)8(2,3)4/h5H2,1-4H3,(H2,9,10)
InChIKeyBRUIYYMNJAWMBC-UHFFFAOYSA-N
XLogP0.98
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.98
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'-(3,3-dimethyl-2-oxobutyl)ethanimidamide?
The IUPAC name of N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide (CID 58079207) is N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide.
What is the SMILES notation for N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide?
The canonical SMILES for N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide is C/C(N)=N\CC(=O)C(C)(C)C.
What is the InChIKey of N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide?
The InChIKey is BRUIYYMNJAWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)10-5-7(11)8(2,3)4/h5H2,1-4H3,(H2,9,10).
What are the key properties of N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide?
N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide is sourced from PubChem (CID 58079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).