N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide

C9H19N3O2 — CID 77038029

IUPACN'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
SMILESCC(C)N(CC(N)=NO)C1CCOC1
InChIInChI=1S/C9H19N3O2/c1-7(2)12(5-9(10)11-13)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyHQWBURAIOKLNAX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds4

About N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide

N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide (PubChem CID 77038029) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
PubChem CID77038029
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
SMILESCC(C)N(CC(N)=NO)C1CCOC1
InChIInChI=1S/C9H19N3O2/c1-7(2)12(5-9(10)11-13)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyHQWBURAIOKLNAX-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
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

N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 77038077
2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77054306
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
CID 104876942
2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 82748788
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide (CID 77038029) is N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide is CC(C)N(CC(N)=NO)C1CCOC1.
What is the InChIKey of N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide?
The InChIKey is HQWBURAIOKLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)12(5-9(10)11-13)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide?
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 77038029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).