2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide

C9H19N3O2 — CID 76929039

IUPAC2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCOC1
InChIInChI=1S/C9H19N3O2/c1-2-12(6-9(10)11-13)5-8-3-4-14-7-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyHQUGVVSSSCEOFZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.09
Rot. Bonds5

About 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76929039) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76929039
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCOC1
InChIInChI=1S/C9H19N3O2/c1-2-12(6-9(10)11-13)5-8-3-4-14-7-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyHQUGVVSSSCEOFZ-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
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'}

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Related Compounds

3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 47053877
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide (CID 76929039) is 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC1CCOC1.
What is the InChIKey of 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is HQUGVVSSSCEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-12(6-9(10)11-13)5-8-3-4-14-7-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).