2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide

C9H20N4O2 — CID 83023535

IUPAC2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(C(=O)NN(C)C)C(N)=NO
InChIInChI=1S/C9H20N4O2/c1-5-9(6-2,7(10)12-15)8(14)11-13(3)4/h15H,5-6H2,1-4H3,(H2,10,12)(H,11,14)
InChIKeyIAZQNNNDMXDHDD-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.13
Rot. Bonds5

About 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide

2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide (PubChem CID 83023535) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
PubChem CID83023535
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(C(=O)NN(C)C)C(N)=NO
InChIInChI=1S/C9H20N4O2/c1-5-9(6-2,7(10)12-15)8(14)11-13(3)4/h15H,5-6H2,1-4H3,(H2,10,12)(H,11,14)
InChIKeyIAZQNNNDMXDHDD-UHFFFAOYSA-N
XLogP0.13
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921205
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76929727
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350525
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
N-(3,5-dimethylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919947
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76921580
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
CID 55140482
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106341719
N-(3,5-dichlorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919932

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide?
The IUPAC name of 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide (CID 83023535) is 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide is CCC(CC)(C(=O)NN(C)C)C(N)=NO.
What is the InChIKey of 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide?
The InChIKey is IAZQNNNDMXDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-5-9(6-2,7(10)12-15)8(14)11-13(3)4/h15H,5-6H2,1-4H3,(H2,10,12)(H,11,14).
What are the key properties of 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide?
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide has a molecular weight of 216.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 83023535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).