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

C10H21N3O2 — CID 104889553

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C10H21N3O2/c1-10(2)5-4-8(15-10)6-13(3)7-9(11)12-14/h8,14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBJDUHHHPDRNECO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds4

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

2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 104889553) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID104889553
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C10H21N3O2/c1-10(2)5-4-8(15-10)6-13(3)7-9(11)12-14/h8,14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBJDUHHHPDRNECO-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.62
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-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide (CID 104889553) is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is BJDUHHHPDRNECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2)5-4-8(15-10)6-13(3)7-9(11)12-14/h8,14H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide?
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 4 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-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104889553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).