N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide

C10H21N3O2 — CID 82739955

IUPACN'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide
SMILESCC1OCCC1N(C)CCCC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)13(2)6-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCHDIPSFTLUBJNF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds5

About N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide

N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide (PubChem CID 82739955) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide
PubChem CID82739955
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide
SMILESCC1OCCC1N(C)CCCC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)13(2)6-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCHDIPSFTLUBJNF-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide (CID 82739955) is N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide is CC1OCCC1N(C)CCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide?
The InChIKey is CHDIPSFTLUBJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)13(2)6-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide?
N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanimidamide is sourced from PubChem (CID 82739955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).