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

C8H16N2O — CID 123778640

IUPACN'-(2,2-dimethyl-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(C)(C)C/N=C(\C)N
InChIInChI=1S/C8H16N2O/c1-6(11)8(3,4)5-10-7(2)9/h5H2,1-4H3,(H2,9,10)
InChIKeyNFFYKDFWZKYLNC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.98
Rot. Bonds3

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

N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide (PubChem CID 123778640) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,2-dimethyl-3-oxobutyl)ethanimidamide
PubChem CID123778640
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(2,2-dimethyl-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(C)(C)C/N=C(\C)N
InChIInChI=1S/C8H16N2O/c1-6(11)8(3,4)5-10-7(2)9/h5H2,1-4H3,(H2,9,10)
InChIKeyNFFYKDFWZKYLNC-UHFFFAOYSA-N
XLogP0.98
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

1-Aminoethylidene-(3,3-dimethyl-2-oxobutyl)azanium
CID 58079206
N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide
CID 58079207
2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036
N'-(2-methylpropyl)-3-oxopentanimidamide
CID 137470759
4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
CID 140915576

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide?
The IUPAC name of N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide (CID 123778640) is N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide.
What is the SMILES notation for N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide?
The canonical SMILES for N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide is CC(=O)C(C)(C)C/N=C(\C)N.
What is the InChIKey of N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide?
The InChIKey is NFFYKDFWZKYLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(11)8(3,4)5-10-7(2)9/h5H2,1-4H3,(H2,9,10).
What are the key properties of N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide?
N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide is sourced from PubChem (CID 123778640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).