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

C9H19N3O2 — CID 76904073

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCCO1
InChIInChI=1S/C9H19N3O2/c1-2-12(7-9(10)11-13)6-8-4-3-5-14-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyPGWZWVUPHVLBAT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds5

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

2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76904073) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76904073
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCCO1
InChIInChI=1S/C9H19N3O2/c1-2-12(7-9(10)11-13)6-8-4-3-5-14-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyPGWZWVUPHVLBAT-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
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 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide 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 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide (CID 76904073) is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC1CCCO1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is PGWZWVUPHVLBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-12(7-9(10)11-13)6-8-4-3-5-14-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76904073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).