4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide

C11H23N3O2 — CID 61434758

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCCC(N)=NO)CC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-2-14(7-3-6-11(12)13-15)9-10-5-4-8-16-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyZBJROWGUGOZXAS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds7

About 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide

4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 61434758) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
PubChem CID61434758
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCCC(N)=NO)CC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-2-14(7-3-6-11(12)13-15)9-10-5-4-8-16-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyZBJROWGUGOZXAS-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
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'}

Analyze 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide (CID 61434758) is 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide is CCN(CCCC(N)=NO)CC1CCCO1.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is ZBJROWGUGOZXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-14(7-3-6-11(12)13-15)9-10-5-4-8-16-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide?
4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 61434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).