N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide

C9H19N3O2 — CID 82728599

IUPACN'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide
SMILESCCC(NC1CCOC1C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-3-7(9(10)12-13)11-8-4-5-14-6(8)2/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyHXQDGXVKJICMKZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds4

About N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide

N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide (PubChem CID 82728599) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide
PubChem CID82728599
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide
SMILESCCC(NC1CCOC1C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-3-7(9(10)12-13)11-8-4-5-14-6(8)2/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyHXQDGXVKJICMKZ-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
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

2-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxybutanimidamide
CID 77029726
N'-hydroxy-2-[(1-methylpiperidin-4-yl)amino]butanimidamide
CID 77028374
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
N-(1-cyclopropylpropyl)-2-methyloxolan-3-amine
CID 82725942
2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide
CID 77032817
methyl 3-methyl-2-[(2-methyloxolan-3-yl)amino]pentanoate
CID 82727620
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
CID 97358167
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
CID 104940499
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
CID 79763170

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide (CID 82728599) is N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide is CCC(NC1CCOC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide?
The InChIKey is HXQDGXVKJICMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-7(9(10)12-13)11-8-4-5-14-6(8)2/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide?
N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide is sourced from PubChem (CID 82728599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).