2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide

C10H21N3O2 — CID 76942675

IUPAC2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-2-13(8-10(11)12-14)7-9-3-5-15-6-4-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyNVCSCBSGRGMBBW-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds5

About 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76942675) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76942675
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-2-13(8-10(11)12-14)7-9-3-5-15-6-4-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyNVCSCBSGRGMBBW-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide (CID 76942675) is 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC1CCOCC1.
What is the InChIKey of 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NVCSCBSGRGMBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-13(8-10(11)12-14)7-9-3-5-15-6-4-9/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76942675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).