4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide

C8H20N4O — CID 77029128

IUPAC4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
SMILESCN(C)CCNCCCC(N)=NO
InChIInChI=1S/C8H20N4O/c1-12(2)7-6-10-5-3-4-8(9)11-13/h10,13H,3-7H2,1-2H3,(H2,9,11)
InChIKeyZXBLBAMOZAKEBQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.34
Rot. Bonds7

About 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide

4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide (PubChem CID 77029128) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
PubChem CID77029128
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
SMILESCN(C)CCNCCCC(N)=NO
InChIInChI=1S/C8H20N4O/c1-12(2)7-6-10-5-3-4-8(9)11-13/h10,13H,3-7H2,1-2H3,(H2,9,11)
InChIKeyZXBLBAMOZAKEBQ-UHFFFAOYSA-N
XLogP-0.34
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide (CID 77029128) is 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide is CN(C)CCNCCCC(N)=NO.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide?
The InChIKey is ZXBLBAMOZAKEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-12(2)7-6-10-5-3-4-8(9)11-13/h10,13H,3-7H2,1-2H3,(H2,9,11).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide?
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide has a molecular weight of 188.27 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77029128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).