4-(diethylamino)-N'-hydroxybenzenecarboximidamide

C11H17N3O — CID 43188163

IUPAC4-(diethylamino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13-15/h5-8,15H,3-4H2,1-2H3,(H2,12,13)
InChIKeySLEXXGNIJIOVBG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.63
Rot. Bonds4

About 4-(diethylamino)-N'-hydroxybenzenecarboximidamide

4-(diethylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 43188163) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(diethylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(diethylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID43188163
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(diethylamino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13-15/h5-8,15H,3-4H2,1-2H3,(H2,12,13)
InChIKeySLEXXGNIJIOVBG-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.63
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'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(diethylamino)-N'-hydroxybenzenecarboximidamide (CID 43188163) is 4-(diethylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(diethylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(diethylamino)-N'-hydroxybenzenecarboximidamide is CCN(CC)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(diethylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SLEXXGNIJIOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13-15/h5-8,15H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 4-(diethylamino)-N'-hydroxybenzenecarboximidamide?
4-(diethylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43188163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).