4-(diethylamino)-N'-hydroxybutanimidamide

C8H19N3O — CID 559614

IUPAC4-(diethylamino)-N'-hydroxybutanimidamide
SMILESCCN(CC)CCCC(N)=NO
InChIInChI=1S/C8H19N3O/c1-3-11(4-2)7-5-6-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyRLJDHZZGMLJZAW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.85
Rot. Bonds6

About 4-(diethylamino)-N'-hydroxybutanimidamide

4-(diethylamino)-N'-hydroxybutanimidamide (PubChem CID 559614) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(diethylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(diethylamino)-N'-hydroxybutanimidamide
PubChem CID559614
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-(diethylamino)-N'-hydroxybutanimidamide
SMILESCCN(CC)CCCC(N)=NO
InChIInChI=1S/C8H19N3O/c1-3-11(4-2)7-5-6-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyRLJDHZZGMLJZAW-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(diethylamino)-N'-hydroxybutanimidamide (CID 559614) is 4-(diethylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(diethylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(diethylamino)-N'-hydroxybutanimidamide is CCN(CC)CCCC(N)=NO.
What is the InChIKey of 4-(diethylamino)-N'-hydroxybutanimidamide?
The InChIKey is RLJDHZZGMLJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-11(4-2)7-5-6-8(9)10-12/h12H,3-7H2,1-2H3,(H2,9,10).
What are the key properties of 4-(diethylamino)-N'-hydroxybutanimidamide?
4-(diethylamino)-N'-hydroxybutanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 559614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).