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

C12H25N3O2 — CID 104889566

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-9(2)15(8-11(13)14-16)7-10-5-6-12(3,4)17-10/h9-10,16H,5-8H2,1-4H3,(H2,13,14)
InChIKeyUJHGYYBMORMFDT-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds5

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

2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide (PubChem CID 104889566) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
PubChem CID104889566
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-9(2)15(8-11(13)14-16)7-10-5-6-12(3,4)17-10/h9-10,16H,5-8H2,1-4H3,(H2,13,14)
InChIKeyUJHGYYBMORMFDT-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
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-propan-2-ylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide (CID 104889566) is 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
The InChIKey is UJHGYYBMORMFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)15(8-11(13)14-16)7-10-5-6-12(3,4)17-10/h9-10,16H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide?
2-[(5,5-dimethyloxolan-2-yl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 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-propan-2-ylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104889566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).