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

C9H19N3O2 — CID 104865243

IUPACN'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide
SMILESCC(CNC1(C)CCOC1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(8(10)12-13)5-11-9(2)3-4-14-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyHDYACCIFFHZZDM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.14
Rot. Bonds4

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

N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide (PubChem CID 104865243) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide
PubChem CID104865243
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide
SMILESCC(CNC1(C)CCOC1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(8(10)12-13)5-11-9(2)3-4-14-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyHDYACCIFFHZZDM-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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

N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866634
N-(2-ethylbutyl)-3-methyloxolan-3-amine
CID 115908622
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
3-(2-methylpropylamino)oxolane-3-carboxamide
CID 63335455
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 114493671
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-phenylpropanimidamide
CID 106299263
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 113364506
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide (CID 104865243) is N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide is CC(CNC1(C)CCOC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide?
The InChIKey is HDYACCIFFHZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(8(10)12-13)5-11-9(2)3-4-14-6-9/h7,11,13H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 104865243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).