2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide

C11H23N3O2 — CID 104889554

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-4-14(8-10(12)13-15)7-9-5-6-11(2,3)16-9/h9,15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyVPPCAERTJAYONS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide

2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide (PubChem CID 104889554) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide
PubChem CID104889554
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-4-14(8-10(12)13-15)7-9-5-6-11(2,3)16-9/h9,15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyVPPCAERTJAYONS-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide (CID 104889554) is 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide?
The InChIKey is VPPCAERTJAYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-14(8-10(12)13-15)7-9-5-6-11(2,3)16-9/h9,15H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide?
2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104889554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).